3-(1H-pyrazol-5-yl)propanenitrile

C6H7N3 — CID 59681732

IUPAC3-(1H-pyrazol-5-yl)propanenitrile
SMILESN#CCCc1ccn[nH]1
InChIInChI=1S/C6H7N3/c7-4-1-2-6-3-5-8-9-6/h3,5H,1-2H2,(H,8,9)
InChIKeyWUVCPAVXBDDGPH-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.87
Rot. Bonds2

About 3-(1H-pyrazol-5-yl)propanenitrile

3-(1H-pyrazol-5-yl)propanenitrile (PubChem CID 59681732) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-yl)propanenitrile.

Molecular Properties

Compound Name3-(1H-pyrazol-5-yl)propanenitrile
PubChem CID59681732
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name3-(1H-pyrazol-5-yl)propanenitrile
SMILESN#CCCc1ccn[nH]1
InChIInChI=1S/C6H7N3/c7-4-1-2-6-3-5-8-9-6/h3,5H,1-2H2,(H,8,9)
InChIKeyWUVCPAVXBDDGPH-UHFFFAOYSA-N
XLogP0.87
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1H-pyrazol-5-yl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-5-yl)propanenitrile?
The IUPAC name of 3-(1H-pyrazol-5-yl)propanenitrile (CID 59681732) is 3-(1H-pyrazol-5-yl)propanenitrile.
What is the SMILES notation for 3-(1H-pyrazol-5-yl)propanenitrile?
The canonical SMILES for 3-(1H-pyrazol-5-yl)propanenitrile is N#CCCc1ccn[nH]1.
What is the InChIKey of 3-(1H-pyrazol-5-yl)propanenitrile?
The InChIKey is WUVCPAVXBDDGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c7-4-1-2-6-3-5-8-9-6/h3,5H,1-2H2,(H,8,9).
What are the key properties of 3-(1H-pyrazol-5-yl)propanenitrile?
3-(1H-pyrazol-5-yl)propanenitrile has a molecular weight of 121.14 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-yl)propanenitrile is sourced from PubChem (CID 59681732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).