Chemical Components in the PDB

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1Z6 : Summary

Code

1Z6

One-letter code

X

Molecule name

4-(4-fluorophenyl)-3-methyl-1H-pyrazole

Systematic names

ProgramVersionName
ACDLabs 12.01 4-(4-fluorophenyl)-3-methyl-1H-pyrazole
OpenEye OEToolkits 1.9.2 4-(4-fluorophenyl)-3-methyl-1H-pyrazole

Formula

C10 H9 F N2

Formal charge

0

Molecular weight

176.19 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Fc2ccc(c1cnnc1C)cc2
SMILES CACTVS 3.385 Cc1n[nH]cc1c2ccc(F)cc2
SMILES OpenEye OEToolkits 1.9.2 Cc1c(c[nH]n1)c2ccc(cc2)F
Canonical SMILES CACTVS 3.385 Cc1n[nH]cc1c2ccc(F)cc2
Canonical SMILES OpenEye OEToolkits 1.9.2 Cc1c(c[nH]n1)c2ccc(cc2)F

IUPAC InChI

InChI=1S/C10H9FN2/c1-7-10(6-12-13-7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)

IUPAC InChI key

XUVCYVPANABQRL-UHFFFAOYSA-N
1Z6

wwPDB Information

Atom count

22 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-02-27

Last modified at

2014-09-05

Status

Released

Obsoleted

Not Assigned