Chemical Components in the PDB

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OW8 : Summary

Code

OW8

One-letter code

X

Molecule name

~{N}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

Formula

C8 H11 N3 O

Formal charge

0

Molecular weight

165.192 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CNC(=O)c1n[nH]c2CCCc12
SMILES OpenEye OEToolkits 2.0.7 CNC(=O)c1c2c([nH]n1)CCC2
Canonical SMILES CACTVS 3.385 CNC(=O)c1n[nH]c2CCCc12
Canonical SMILES OpenEye OEToolkits 2.0.7 CNC(=O)c1c2c([nH]n1)CCC2

IUPAC InChI

InChI=1S/C8H11N3O/c1-9-8(12)7-5-3-2-4-6(5)10-11-7/h2-4H2,1H3,(H,9,12)(H,10,11)

IUPAC InChI key

TYDCMCXSYOEORK-UHFFFAOYSA-N
OW8

wwPDB Information

Atom count

23 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-04-06

Last modified at

2020-07-10

Status

Released

Obsoleted

Not Assigned