3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile

Name: 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₁₅N₃ — CID 121212763

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile

SMILESCc1[nH]nc(C(C)C)c1CCC#N

InChIInChI=1S/C10H15N3/c1-7(2)10-9(5-4-6-11)8(3)12-13-10/h7H,4-5H2,1-3H3,(H,12,13)

InChIKeyHNIKYRAXHYTPDZ-UHFFFAOYSA-N

MW177.25 g/mol

LogP2.30

Rot. Bonds3

About 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile

3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile (PubChem CID 121212763) has the molecular formula C₁₀H₁₅N₃ and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile.

Molecular Properties

Compound Name	3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile
PubChem CID	121212763
Molecular Formula	C₁₀H₁₅N₃
Molecular Weight	177.25 g/mol
Exact Mass	177.13
IUPAC Name	3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile
SMILES	Cc1[nH]nc(C(C)C)c1CCC#N
InChI	InChI=1S/C10H15N3/c1-7(2)10-9(5-4-6-11)8(3)12-13-10/h7H,4-5H2,1-3H3,(H,12,13)
InChIKey	HNIKYRAXHYTPDZ-UHFFFAOYSA-N
XLogP	2.30
TPSA	52.47 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	177.25
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile?

The IUPAC name of 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile (CID 121212763) is 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile.

What is the SMILES notation for 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile?

The canonical SMILES for 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile is Cc1[nH]nc(C(C)C)c1CCC#N.

What is the InChIKey of 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile?

The InChIKey is HNIKYRAXHYTPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-7(2)10-9(5-4-6-11)8(3)12-13-10/h7H,4-5H2,1-3H3,(H,12,13).

What are the key properties of 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile?

3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile has a molecular weight of 177.25 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile is sourced from PubChem (CID 121212763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 121212763 — identifiers, structure, computed properties (public domain)

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