Chemical Components in the PDB

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M2B : Summary

Code

M2B

One-letter code

X

Molecule name

5-Amino-1-Phenylpyrazole-4-Carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 5-azanyl-1-phenyl-pyrazole-4-carboxamide

Formula

C10 H10 N4 O

Formal charge

0

Molecular weight

202.213 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC(=O)c1cnn(c2ccccc2)c1N
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)n2c(c(cn2)C(=O)N)N
Canonical SMILES CACTVS 3.385 NC(=O)c1cnn(c2ccccc2)c1N
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)n2c(c(cn2)C(=O)N)N

IUPAC InChI

InChI=1S/C10H10N4O/c11-9-8(10(12)15)6-13-14(9)7-4-2-1-3-5-7/h1-6H,11H2,(H2,12,15)

IUPAC InChI key

UBKSUPKIDNXMMC-UHFFFAOYSA-N
M2B

wwPDB Information

Atom count

25 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-10-02

Last modified at

2019-10-18

Status

Released

Obsoleted

Not Assigned