1-(4-propan-2-ylpyrazol-1-yl)cyclopropane-1-carbonitrile

C10H13N3 — CID 177278679

IUPAC1-(4-propan-2-ylpyrazol-1-yl)cyclopropane-1-carbonitrile
SMILESCC(C)c1cnn(C2(C#N)CC2)c1
InChIInChI=1S/C10H13N3/c1-8(2)9-5-12-13(6-9)10(7-11)3-4-10/h5-6,8H,3-4H2,1-2H3
InChIKeyOQNOWAWNOBRKMJ-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.02
Rot. Bonds2

About 1-(4-propan-2-ylpyrazol-1-yl)cyclopropane-1-carbonitrile

1-(4-propan-2-ylpyrazol-1-yl)cyclopropane-1-carbonitrile (PubChem CID 177278679) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(4-propan-2-ylpyrazol-1-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-propan-2-ylpyrazol-1-yl)cyclopropane-1-carbonitrile
PubChem CID177278679
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name1-(4-propan-2-ylpyrazol-1-yl)cyclopropane-1-carbonitrile
SMILESCC(C)c1cnn(C2(C#N)CC2)c1
InChIInChI=1S/C10H13N3/c1-8(2)9-5-12-13(6-9)10(7-11)3-4-10/h5-6,8H,3-4H2,1-2H3
InChIKeyOQNOWAWNOBRKMJ-UHFFFAOYSA-N
XLogP2.02
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-propan-2-ylpyrazol-1-yl)cyclopropane-1-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-(1-methyl-1H-pyrazol-4-yl)acetonitrile
CID 43154732
1-tert-Butyl-1H-pyrazole-4-carbonitrile
CID 10953684
2-(1-methyl-1H-pyrazol-4-yl)propan-2-amine
CID 54595161
2-(1-methyl-1H-pyrazol-4-yl)propanenitrile
CID 61792416
2-(1-methyl-1H-pyrazol-4-yl)acetonitrile hydrochloride
CID 165993157
4-Ethyl-1-methylpyrazole
CID 22948535
1-[(2,2-Difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole
CID 59186486
1-(2,2-Difluoroethyl)-4-propan-2-ylpyrazole
CID 59333381
1-(2-Fluoropropyl)-4-propan-2-ylpyrazole
CID 68044694
1-(2-Fluoroprop-2-enyl)-4-propan-2-ylpyrazole
CID 68044696
4-Propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
CID 68044697
1-[(Z)-2-fluoroprop-1-enyl]-4-propan-2-ylpyrazole
CID 68044698

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylpyrazol-1-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(4-propan-2-ylpyrazol-1-yl)cyclopropane-1-carbonitrile (CID 177278679) is 1-(4-propan-2-ylpyrazol-1-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(4-propan-2-ylpyrazol-1-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(4-propan-2-ylpyrazol-1-yl)cyclopropane-1-carbonitrile is CC(C)c1cnn(C2(C#N)CC2)c1.
What is the InChIKey of 1-(4-propan-2-ylpyrazol-1-yl)cyclopropane-1-carbonitrile?
The InChIKey is OQNOWAWNOBRKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-8(2)9-5-12-13(6-9)10(7-11)3-4-10/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylpyrazol-1-yl)cyclopropane-1-carbonitrile?
1-(4-propan-2-ylpyrazol-1-yl)cyclopropane-1-carbonitrile has a molecular weight of 175.23 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylpyrazol-1-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 177278679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).