Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PZO : Summary

Code

PZO

One-letter code

X

Molecule name

PYRAZOLE

Systematic names

ProgramVersionName
ACDLabs 10.04 1H-pyrazole
OpenEye OEToolkits 1.5.0 1H-pyrazole

Formula

C3 H4 N2

Formal charge

0

Molecular weight

68.077 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1cccn1
SMILES CACTVS 3.341 [nH]1cccn1
SMILES OpenEye OEToolkits 1.5.0 c1c[nH]nc1
Canonical SMILES CACTVS 3.341 [nH]1cccn1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1c[nH]nc1

IUPAC InChI

InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)

IUPAC InChI key

WTKZEGDFNFYCGP-UHFFFAOYSA-N
PZO

wwPDB Information

Atom count

9 (5 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-12-17

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned