N-cyclopentyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C24H22N4O — CID 1050347

IUPACN-cyclopentyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CCCC1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C24H22N4O/c29-24(25-19-13-7-8-14-19)21-16-23-26-20(17-9-3-1-4-10-17)15-22(28(23)27-21)18-11-5-2-6-12-18/h1-6,9-12,15-16,19H,7-8,13-14H2,(H,25,29)
InChIKeyJBPUNOQMZAEFGP-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.74
Rot. Bonds4

About N-cyclopentyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

N-cyclopentyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1050347) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is N-cyclopentyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1050347
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC NameN-cyclopentyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CCCC1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C24H22N4O/c29-24(25-19-13-7-8-14-19)21-16-23-26-20(17-9-3-1-4-10-17)15-22(28(23)27-21)18-11-5-2-6-12-18/h1-6,9-12,15-16,19H,7-8,13-14H2,(H,25,29)
InChIKeyJBPUNOQMZAEFGP-UHFFFAOYSA-N
XLogP4.74
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-cyclopentyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1050347) is N-cyclopentyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NC1CCCC1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1.
What is the InChIKey of N-cyclopentyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JBPUNOQMZAEFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c29-24(25-19-13-7-8-14-19)21-16-23-26-20(17-9-3-1-4-10-17)15-22(28(23)27-21)18-11-5-2-6-12-18/h1-6,9-12,15-16,19H,7-8,13-14H2,(H,25,29).
What are the key properties of N-cyclopentyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-cyclopentyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1050347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).