Chemical Components in the PDB

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GQM : Summary

Code

GQM

One-letter code

X

Molecule name

5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol

Formula

C10 H10 N2 O2

Formal charge

0

Molecular weight

190.199 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccc(c(O)c1)c2cc[nH]n2
SMILES OpenEye OEToolkits 2.0.6 COc1ccc(c(c1)O)c2cc[nH]n2
Canonical SMILES CACTVS 3.385 COc1ccc(c(O)c1)c2cc[nH]n2
Canonical SMILES OpenEye OEToolkits 2.0.6 COc1ccc(c(c1)O)c2cc[nH]n2

IUPAC InChI

InChI=1S/C10H10N2O2/c1-14-7-2-3-8(10(13)6-7)9-4-5-11-12-9/h2-6,13H,1H3,(H,11,12)

IUPAC InChI key

KCSNRNYLTIFFOZ-UHFFFAOYSA-N
GQM

wwPDB Information

Atom count

24 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-05-31

Last modified at

2018-12-14

Status

Released

Obsoleted

Not Assigned