N-[3-(3-chloro-4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-cyclopentylpropanamide

C21H23ClN4O — CID 68748940

IUPACN-[3-(3-chloro-4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-cyclopentylpropanamide
SMILESCc1ccc(-c2c(NC(=O)CCC3CCCC3)nn3cccnc23)cc1Cl
InChIInChI=1S/C21H23ClN4O/c1-14-7-9-16(13-17(14)22)19-20(25-26-12-4-11-23-21(19)26)24-18(27)10-8-15-5-2-3-6-15/h4,7,9,11-13,15H,2-3,5-6,8,10H2,1H3,(H,24,25,27)
InChIKeyUHSZABWQGRBWIP-UHFFFAOYSA-N
MW382.90 g/mol
LogP5.27
Rot. Bonds5

About N-[3-(3-chloro-4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-cyclopentylpropanamide

N-[3-(3-chloro-4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-cyclopentylpropanamide (PubChem CID 68748940) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is N-[3-(3-chloro-4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-[3-(3-chloro-4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-cyclopentylpropanamide
PubChem CID68748940
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC NameN-[3-(3-chloro-4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-cyclopentylpropanamide
SMILESCc1ccc(-c2c(NC(=O)CCC3CCCC3)nn3cccnc23)cc1Cl
InChIInChI=1S/C21H23ClN4O/c1-14-7-9-16(13-17(14)22)19-20(25-26-12-4-11-23-21(19)26)24-18(27)10-8-15-5-2-3-6-15/h4,7,9,11-13,15H,2-3,5-6,8,10H2,1H3,(H,24,25,27)
InChIKeyUHSZABWQGRBWIP-UHFFFAOYSA-N
XLogP5.27
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.90
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-N-(3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 68751940
N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclopentylpropanamide
CID 68753487
3-cyclopentyl-N-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 68750022
3-cyclopropyl-N-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 68751455
3-cyclohexyl-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)propanamide
CID 7080200
N-(6-chloro-5-methyl-3-pyridinyl)-3-cyclopentylpropanamide
CID 103730306
3-cyclopentyl-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)propanamide
CID 121055615
3-(4-chloro-5-fluoro-2-methylphenyl)-N-cyclobutylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 118686649
3-cyclohexyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 3531765
N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclopentylpropanamide
CID 68750982
3-cyclopentyl-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 35291168
N-(2-acetamidophenyl)-3-cyclopentylpropanamide
CID 976246

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-cyclopentylpropanamide?
The IUPAC name of N-[3-(3-chloro-4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-cyclopentylpropanamide (CID 68748940) is N-[3-(3-chloro-4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-cyclopentylpropanamide.
What is the SMILES notation for N-[3-(3-chloro-4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-cyclopentylpropanamide?
The canonical SMILES for N-[3-(3-chloro-4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-cyclopentylpropanamide is Cc1ccc(-c2c(NC(=O)CCC3CCCC3)nn3cccnc23)cc1Cl.
What is the InChIKey of N-[3-(3-chloro-4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-cyclopentylpropanamide?
The InChIKey is UHSZABWQGRBWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c1-14-7-9-16(13-17(14)22)19-20(25-26-12-4-11-23-21(19)26)24-18(27)10-8-15-5-2-3-6-15/h4,7,9,11-13,15H,2-3,5-6,8,10H2,1H3,(H,24,25,27).
What are the key properties of N-[3-(3-chloro-4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-cyclopentylpropanamide?
N-[3-(3-chloro-4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-cyclopentylpropanamide has a molecular weight of 382.90 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-cyclopentylpropanamide is sourced from PubChem (CID 68748940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).