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

C21H23ClN4O — CID 4109356

IUPAC6-[(3-chlorophenyl)methyl]-N-cyclopentyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NC3CCCC3)cnn2c(C)c1Cc1cccc(Cl)c1
InChIInChI=1S/C21H23ClN4O/c1-13-18(11-15-6-5-7-16(22)10-15)14(2)26-20(24-13)19(12-23-26)21(27)25-17-8-3-4-9-17/h5-7,10,12,17H,3-4,8-9,11H2,1-2H3,(H,25,27)
InChIKeyHFKGQAXFJJTLRI-UHFFFAOYSA-N
MW382.90 g/mol
LogP4.26
Rot. Bonds4

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

6-[(3-chlorophenyl)methyl]-N-cyclopentyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4109356) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methyl]-N-cyclopentyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methyl]-N-cyclopentyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4109356
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name6-[(3-chlorophenyl)methyl]-N-cyclopentyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NC3CCCC3)cnn2c(C)c1Cc1cccc(Cl)c1
InChIInChI=1S/C21H23ClN4O/c1-13-18(11-15-6-5-7-16(22)10-15)14(2)26-20(24-13)19(12-23-26)21(27)25-17-8-3-4-9-17/h5-7,10,12,17H,3-4,8-9,11H2,1-2H3,(H,25,27)
InChIKeyHFKGQAXFJJTLRI-UHFFFAOYSA-N
XLogP4.26
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(3-chlorophenyl)methyl]-N-cyclopentyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methyl]-N-cyclopentyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(3-chlorophenyl)methyl]-N-cyclopentyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4109356) is 6-[(3-chlorophenyl)methyl]-N-cyclopentyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(3-chlorophenyl)methyl]-N-cyclopentyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(3-chlorophenyl)methyl]-N-cyclopentyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NC3CCCC3)cnn2c(C)c1Cc1cccc(Cl)c1.
What is the InChIKey of 6-[(3-chlorophenyl)methyl]-N-cyclopentyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HFKGQAXFJJTLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c1-13-18(11-15-6-5-7-16(22)10-15)14(2)26-20(24-13)19(12-23-26)21(27)25-17-8-3-4-9-17/h5-7,10,12,17H,3-4,8-9,11H2,1-2H3,(H,25,27).
What are the key properties of 6-[(3-chlorophenyl)methyl]-N-cyclopentyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(3-chlorophenyl)methyl]-N-cyclopentyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 382.90 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methyl]-N-cyclopentyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4109356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).