6-[(4-chlorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H25ClN4O — CID 4300024

IUPAC6-[(4-chlorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NC3CCCCC3)cnn2c(C)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H25ClN4O/c1-14-19(12-16-8-10-17(23)11-9-16)15(2)27-21(25-14)20(13-24-27)22(28)26-18-6-4-3-5-7-18/h8-11,13,18H,3-7,12H2,1-2H3,(H,26,28)
InChIKeyKFFQBSJUHAQURK-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.65
Rot. Bonds4

About 6-[(4-chlorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[(4-chlorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4300024) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4300024
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name6-[(4-chlorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NC3CCCCC3)cnn2c(C)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H25ClN4O/c1-14-19(12-16-8-10-17(23)11-9-16)15(2)27-21(25-14)20(13-24-27)22(28)26-18-6-4-3-5-7-18/h8-11,13,18H,3-7,12H2,1-2H3,(H,26,28)
InChIKeyKFFQBSJUHAQURK-UHFFFAOYSA-N
XLogP4.65
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(4-chlorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide 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

6-[(4-chlorophenyl)methyl]-N-(3-methoxypropyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4163914
[6-[(4-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 3400698
6-[(3-bromophenyl)methyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 92695544
6-[(2,5-dichlorophenyl)methyl]-N-(2-methoxyethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24771504
6-benzyl-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4586027
6-benzyl-N-[2-(dimethylamino)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 126479422
6-[(3-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4109357
N-[(2-chlorophenyl)methyl]-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 5220894
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 8590325
N-cyclopentyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919360
5,7-dimethyl-6-[3-[(3-methylcyclohexyl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 60506069

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(4-chlorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4300024) is 6-[(4-chlorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NC3CCCCC3)cnn2c(C)c1Cc1ccc(Cl)cc1.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KFFQBSJUHAQURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O/c1-14-19(12-16-8-10-17(23)11-9-16)15(2)27-21(25-14)20(13-24-27)22(28)26-18-6-4-3-5-7-18/h8-11,13,18H,3-7,12H2,1-2H3,(H,26,28).
What are the key properties of 6-[(4-chlorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(4-chlorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 396.92 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4300024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).