3-(3-methylpyrazol-1-yl)propanenitrile

C7H9N3 — CID 19616358

IUPAC3-(3-methylpyrazol-1-yl)propanenitrile
SMILESCc1ccn(CCC#N)n1
InChIInChI=1S/C7H9N3/c1-7-3-6-10(9-7)5-2-4-8/h3,6H,2,5H2,1H3
InChIKeySEWXMNYWIRHFGL-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.11
Rot. Bonds2

About 3-(3-methylpyrazol-1-yl)propanenitrile

3-(3-methylpyrazol-1-yl)propanenitrile (PubChem CID 19616358) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 3-(3-methylpyrazol-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(3-methylpyrazol-1-yl)propanenitrile
PubChem CID19616358
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name3-(3-methylpyrazol-1-yl)propanenitrile
SMILESCc1ccn(CCC#N)n1
InChIInChI=1S/C7H9N3/c1-7-3-6-10(9-7)5-2-4-8/h3,6H,2,5H2,1H3
InChIKeySEWXMNYWIRHFGL-UHFFFAOYSA-N
XLogP1.11
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-methylpyrazol-1-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-(3-methylpyrazol-1-yl)propanenitrile?
The IUPAC name of 3-(3-methylpyrazol-1-yl)propanenitrile (CID 19616358) is 3-(3-methylpyrazol-1-yl)propanenitrile.
What is the SMILES notation for 3-(3-methylpyrazol-1-yl)propanenitrile?
The canonical SMILES for 3-(3-methylpyrazol-1-yl)propanenitrile is Cc1ccn(CCC#N)n1.
What is the InChIKey of 3-(3-methylpyrazol-1-yl)propanenitrile?
The InChIKey is SEWXMNYWIRHFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-7-3-6-10(9-7)5-2-4-8/h3,6H,2,5H2,1H3.
What are the key properties of 3-(3-methylpyrazol-1-yl)propanenitrile?
3-(3-methylpyrazol-1-yl)propanenitrile has a molecular weight of 135.17 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrazol-1-yl)propanenitrile is sourced from PubChem (CID 19616358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).