Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

LZ8 : Summary

Code

LZ8

One-letter code

X

Molecule name

N-(4-FLUOROPHENYL)-4-[(PHENYLCARBONYL)AMINO]-1H-PYRAZOLE-3-CARBOXAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-(4-fluorophenyl)-4-[(phenylcarbonyl)amino]-1H-pyrazole-3-carboxamide
OpenEye OEToolkits 1.6.1 4-benzamido-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide

Formula

C17 H13 F N4 O2

Formal charge

0

Molecular weight

324.309 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(Nc1c(nnc1)C(=O)Nc2ccc(F)cc2)c3ccccc3
SMILES CACTVS 3.352 Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c3ccccc3)cc1
SMILES OpenEye OEToolkits 1.6.1 c1ccc(cc1)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F
Canonical SMILES CACTVS 3.352 Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c3ccccc3)cc1
Canonical SMILES OpenEye OEToolkits 1.6.1 c1ccc(cc1)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F

IUPAC InChI

InChI=1S/C17H13FN4O2/c18-12-6-8-13(9-7-12)20-17(24)15-14(10-19-22-15)21-16(23)11-4-2-1-3-5-11/h1-10H,(H,19,22)(H,20,24)(H,21,23)

IUPAC InChI key

ZMWYSLJBNJUCRK-UHFFFAOYSA-N
LZ8

wwPDB Information

Atom count

37 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-05-15

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned