2-[2-(2-methylpropyl)pyrazol-3-yl]propanenitrile

C10H15N3 — CID 84767466

IUPAC2-[2-(2-methylpropyl)pyrazol-3-yl]propanenitrile
SMILESCC(C)Cn1nccc1C(C)C#N
InChIInChI=1S/C10H15N3/c1-8(2)7-13-10(4-5-12-13)9(3)6-11/h4-5,8-9H,7H2,1-3H3
InChIKeyHTJLTOAORWJILM-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.17
Rot. Bonds3

About 2-[2-(2-methylpropyl)pyrazol-3-yl]propanenitrile

2-[2-(2-methylpropyl)pyrazol-3-yl]propanenitrile (PubChem CID 84767466) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-[2-(2-methylpropyl)pyrazol-3-yl]propanenitrile.

Molecular Properties

Compound Name2-[2-(2-methylpropyl)pyrazol-3-yl]propanenitrile
PubChem CID84767466
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2-[2-(2-methylpropyl)pyrazol-3-yl]propanenitrile
SMILESCC(C)Cn1nccc1C(C)C#N
InChIInChI=1S/C10H15N3/c1-8(2)7-13-10(4-5-12-13)9(3)6-11/h4-5,8-9H,7H2,1-3H3
InChIKeyHTJLTOAORWJILM-UHFFFAOYSA-N
XLogP2.17
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2-methylpropyl)pyrazol-3-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 2-[2-(2-methylpropyl)pyrazol-3-yl]propanenitrile?
The IUPAC name of 2-[2-(2-methylpropyl)pyrazol-3-yl]propanenitrile (CID 84767466) is 2-[2-(2-methylpropyl)pyrazol-3-yl]propanenitrile.
What is the SMILES notation for 2-[2-(2-methylpropyl)pyrazol-3-yl]propanenitrile?
The canonical SMILES for 2-[2-(2-methylpropyl)pyrazol-3-yl]propanenitrile is CC(C)Cn1nccc1C(C)C#N.
What is the InChIKey of 2-[2-(2-methylpropyl)pyrazol-3-yl]propanenitrile?
The InChIKey is HTJLTOAORWJILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-8(2)7-13-10(4-5-12-13)9(3)6-11/h4-5,8-9H,7H2,1-3H3.
What are the key properties of 2-[2-(2-methylpropyl)pyrazol-3-yl]propanenitrile?
2-[2-(2-methylpropyl)pyrazol-3-yl]propanenitrile has a molecular weight of 177.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropyl)pyrazol-3-yl]propanenitrile is sourced from PubChem (CID 84767466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).