3-cyclopentyl-3-[4-(5-methylpyrimidin-4-yl)pyrazol-1-yl]propanenitrile

C16H19N5 — CID 150688579

IUPAC3-cyclopentyl-3-[4-(5-methylpyrimidin-4-yl)pyrazol-1-yl]propanenitrile
SMILESCc1cncnc1-c1cnn(C(CC#N)C2CCCC2)c1
InChIInChI=1S/C16H19N5/c1-12-8-18-11-19-16(12)14-9-20-21(10-14)15(6-7-17)13-4-2-3-5-13/h8-11,13,15H,2-6H2,1H3
InChIKeyJJJWQNLMVFKGOD-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.29
Rot. Bonds4

About 3-cyclopentyl-3-[4-(5-methylpyrimidin-4-yl)pyrazol-1-yl]propanenitrile

3-cyclopentyl-3-[4-(5-methylpyrimidin-4-yl)pyrazol-1-yl]propanenitrile (PubChem CID 150688579) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-cyclopentyl-3-[4-(5-methylpyrimidin-4-yl)pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-cyclopentyl-3-[4-(5-methylpyrimidin-4-yl)pyrazol-1-yl]propanenitrile
PubChem CID150688579
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name3-cyclopentyl-3-[4-(5-methylpyrimidin-4-yl)pyrazol-1-yl]propanenitrile
SMILESCc1cncnc1-c1cnn(C(CC#N)C2CCCC2)c1
InChIInChI=1S/C16H19N5/c1-12-8-18-11-19-16(12)14-9-20-21(10-14)15(6-7-17)13-4-2-3-5-13/h8-11,13,15H,2-6H2,1H3
InChIKeyJJJWQNLMVFKGOD-UHFFFAOYSA-N
XLogP3.29
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-cyclopentyl-3-[4-(5-methylpyrimidin-4-yl)pyrazol-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

Related Compounds

Casein Kinase inhibitor A86
CID 134812748
[4-(3-Isopropyl-1H-pyrazol-4-yl)-5-methyl-pyrimidin-2-yl]-(1-methyl-piperidin-4-yl)-amine
CID 49840033
(R)-3-Cyclopentyl-3-(4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)propanenitrile
CID 70673384
3-Methyl-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzonitrile
CID 90646677
(3R)-3-cyclopentyl-3-[(4M)-4-{5-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-1H-pyrazol-1-yl]propanenitrile
CID 168301725
7-Phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 902114
4-Azanyl-6-[1-[[3,4-bis(fluoranyl)phenyl]methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile
CID 155907509
2-[4-Benzyl-5-methyl-3-(2-methylpropyl)pyrazol-1-yl]-5-ethylpyrimidine
CID 118430448
2-[(3R)-4-(cyclopropylcarbonyl)-3-methylpiperazin-1-yl]-4-(1-methyl-1H-pyrazol-4-yl)-6-propylpyrimidine-5-carbonitrile
CID 152684289
4-Azanyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile
CID 155907506
N-ethyl-5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 28363191
N,N-dimethyl-3-{3-[3-(5-pyrimidinyl)phenyl]-1H-pyrazol-1-yl}-1-propanamine
CID 28784014

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-[4-(5-methylpyrimidin-4-yl)pyrazol-1-yl]propanenitrile?
The IUPAC name of 3-cyclopentyl-3-[4-(5-methylpyrimidin-4-yl)pyrazol-1-yl]propanenitrile (CID 150688579) is 3-cyclopentyl-3-[4-(5-methylpyrimidin-4-yl)pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 3-cyclopentyl-3-[4-(5-methylpyrimidin-4-yl)pyrazol-1-yl]propanenitrile?
The canonical SMILES for 3-cyclopentyl-3-[4-(5-methylpyrimidin-4-yl)pyrazol-1-yl]propanenitrile is Cc1cncnc1-c1cnn(C(CC#N)C2CCCC2)c1.
What is the InChIKey of 3-cyclopentyl-3-[4-(5-methylpyrimidin-4-yl)pyrazol-1-yl]propanenitrile?
The InChIKey is JJJWQNLMVFKGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-12-8-18-11-19-16(12)14-9-20-21(10-14)15(6-7-17)13-4-2-3-5-13/h8-11,13,15H,2-6H2,1H3.
What are the key properties of 3-cyclopentyl-3-[4-(5-methylpyrimidin-4-yl)pyrazol-1-yl]propanenitrile?
3-cyclopentyl-3-[4-(5-methylpyrimidin-4-yl)pyrazol-1-yl]propanenitrile has a molecular weight of 281.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-[4-(5-methylpyrimidin-4-yl)pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 150688579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).