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W1Y : Summary
Code ![](/pdbe/static/images/help.png)
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W1Y
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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N-methyl-1-(1-phenyl-1H-pyrazol-4-yl)methanamine
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C11 H13 N3
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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187.241 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
n1n(cc(CNC)c1)c2ccccc2 |
SMILES
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CACTVS |
3.385 |
CNCc1cnn(c1)c2ccccc2 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CNCc1cnn(c1)c2ccccc2 |
Canonical SMILES
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CACTVS |
3.385 |
CNCc1cnn(c1)c2ccccc2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CNCc1cnn(c1)c2ccccc2 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C11H13N3/c1-12-7-10-8-13-14(9-10)11-5-3-2-4-6-11/h2-6,8-9,12H,7H2,1H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | SZXULAAYIBSASF-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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27 (14 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2020-09-24
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Last modified at ![](/pdbe/static/images/help.png)
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2021-01-08
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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