3-[4-(2-chloro-5-methylpyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile

C16H18ClN5 — CID 87563206

IUPAC3-[4-(2-chloro-5-methylpyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile
SMILESCc1cnc(Cl)nc1-c1cnn(C(CC#N)C2CCCC2)c1
InChIInChI=1S/C16H18ClN5/c1-11-8-19-16(17)21-15(11)13-9-20-22(10-13)14(6-7-18)12-4-2-3-5-12/h8-10,12,14H,2-6H2,1H3
InChIKeyOZOWDKMCYYHTLN-UHFFFAOYSA-N
MW315.81 g/mol
LogP3.95
Rot. Bonds4

About 3-[4-(2-chloro-5-methylpyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile

3-[4-(2-chloro-5-methylpyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile (PubChem CID 87563206) has the molecular formula C16H18ClN5 and a molecular weight of 315.81 g/mol. Its IUPAC name is 3-[4-(2-chloro-5-methylpyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile.

Molecular Properties

Compound Name3-[4-(2-chloro-5-methylpyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile
PubChem CID87563206
Molecular FormulaC16H18ClN5
Molecular Weight315.81 g/mol
Exact Mass315.13
IUPAC Name3-[4-(2-chloro-5-methylpyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile
SMILESCc1cnc(Cl)nc1-c1cnn(C(CC#N)C2CCCC2)c1
InChIInChI=1S/C16H18ClN5/c1-11-8-19-16(17)21-15(11)13-9-20-22(10-13)14(6-7-18)12-4-2-3-5-12/h8-10,12,14H,2-6H2,1H3
InChIKeyOZOWDKMCYYHTLN-UHFFFAOYSA-N
XLogP3.95
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-(2-chloro-5-methylpyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile 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

(R)-3-Cyclopentyl-3-(4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)propanenitrile
CID 70673384
(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
2-Chloro-4-(3-iodo-1-(1-methylethyl)-1H-pyrazol-4-yl)pyrimidine
CID 51034341
2-[4-Benzyl-5-methyl-3-(2-methylpropyl)pyrazol-1-yl]-5-ethylpyrimidine
CID 118430448
2-Chloro-4-(1-methyl-1H-pyrazol-4-yl)-pyrimidine
CID 24901918
2,5-dichloro-4-[5-(cyclopropylmethyl)-1-methyl-1H-pyrazol-4-yl]pyrimidine
CID 126558495
N-ethyl-5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 28363191
5-methyl-4-(1-methyl-1H-pyrazol-4-yl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-pyrimidinamine
CID 30957211
N-cyclopentyl-4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44824558
4-(1,3-dimethyl-1H-pyrazol-4-yl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine
CID 46983041
3-[4-(2-Anilino-5-methylpyrimidin-4-yl)pyrazol-1-yl]propanenitrile
CID 172471118
US12410160, Example 259
CID 165396867

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chloro-5-methylpyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile?
The IUPAC name of 3-[4-(2-chloro-5-methylpyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile (CID 87563206) is 3-[4-(2-chloro-5-methylpyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile.
What is the SMILES notation for 3-[4-(2-chloro-5-methylpyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile?
The canonical SMILES for 3-[4-(2-chloro-5-methylpyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile is Cc1cnc(Cl)nc1-c1cnn(C(CC#N)C2CCCC2)c1.
What is the InChIKey of 3-[4-(2-chloro-5-methylpyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile?
The InChIKey is OZOWDKMCYYHTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5/c1-11-8-19-16(17)21-15(11)13-9-20-22(10-13)14(6-7-18)12-4-2-3-5-12/h8-10,12,14H,2-6H2,1H3.
What are the key properties of 3-[4-(2-chloro-5-methylpyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile?
3-[4-(2-chloro-5-methylpyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile has a molecular weight of 315.81 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chloro-5-methylpyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile is sourced from PubChem (CID 87563206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).