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SQM : Summary
Code ![](/pdbe/static/images/help.png)
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SQM
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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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4-benzamido-2-methyl-pyrazole-3-carboxamide
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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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C12 H12 N4 O2
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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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244.249 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
Cn1ncc(NC(=O)c2ccccc2)c1C(N)=O |
SMILES
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OpenEye OEToolkits |
2.0.6 |
Cn1c(c(cn1)NC(=O)c2ccccc2)C(=O)N |
Canonical SMILES
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CACTVS |
3.385 |
Cn1ncc(NC(=O)c2ccccc2)c1C(N)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
Cn1c(c(cn1)NC(=O)c2ccccc2)C(=O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C12H12N4O2/c1-16-10(11(13)17)9(7-14-16)15-12(18)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,17)(H,15,18) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | RHBYLZOCKQVWCX-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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30 (18 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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2020-03-11
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Last modified at ![](/pdbe/static/images/help.png)
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2020-07-17
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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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