Chemical Components in the PDB

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SQM : Summary

Code

SQM

One-letter code

X

Molecule name

4-benzamido-2-methyl-pyrazole-3-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 4-benzamido-2-methyl-pyrazole-3-carboxamide

Formula

C12 H12 N4 O2

Formal charge

0

Molecular weight

244.249 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cn1ncc(NC(=O)c2ccccc2)c1C(N)=O
SMILES OpenEye OEToolkits 2.0.6 Cn1c(c(cn1)NC(=O)c2ccccc2)C(=O)N
Canonical SMILES CACTVS 3.385 Cn1ncc(NC(=O)c2ccccc2)c1C(N)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 Cn1c(c(cn1)NC(=O)c2ccccc2)C(=O)N

IUPAC InChI

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

RHBYLZOCKQVWCX-UHFFFAOYSA-N
SQM

wwPDB Information

Atom count

30 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-03-11

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned