N-(3-cyclopentylpropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H24N4O — CID 55828845

IUPACN-(3-cyclopentylpropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCCC1CCCC1)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C21H24N4O/c26-21(23-13-6-9-16-7-4-5-8-16)18-15-24-25-19(12-14-22-20(18)25)17-10-2-1-3-11-17/h1-3,10-12,14-16H,4-9,13H2,(H,23,26)
InChIKeyCPJOUXOQPUQKHG-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.10
Rot. Bonds6

About N-(3-cyclopentylpropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-cyclopentylpropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55828845) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID55828845
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-(3-cyclopentylpropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCCC1CCCC1)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C21H24N4O/c26-21(23-13-6-9-16-7-4-5-8-16)18-15-24-25-19(12-14-22-20(18)25)17-10-2-1-3-11-17/h1-3,10-12,14-16H,4-9,13H2,(H,23,26)
InChIKeyCPJOUXOQPUQKHG-UHFFFAOYSA-N
XLogP4.10
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclohexyloxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46491033
N-[2-[cyclopentyl(methyl)amino]ethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46974570
N-[3-(2-oxoazepan-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46488049
N-[3-(2-methylimidazol-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55958474
N-(4-hydroxycyclohexyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110895303
N-(2-hydroxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78897388
N-(2-hydroxy-2-phenylethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 75403724
N-[(4-fluorophenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24716902
N-(2-cyclopropyl-2-hydroxypropyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 126830270
7-(4-methylphenyl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440444
N-[2-(furan-2-yl)-2-hydroxyethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110899085
7-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440419

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-cyclopentylpropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55828845) is N-(3-cyclopentylpropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCCCC1CCCC1)c1cnn2c(-c3ccccc3)ccnc12.
What is the InChIKey of N-(3-cyclopentylpropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CPJOUXOQPUQKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c26-21(23-13-6-9-16-7-4-5-8-16)18-15-24-25-19(12-14-22-20(18)25)17-10-2-1-3-11-17/h1-3,10-12,14-16H,4-9,13H2,(H,23,26).
What are the key properties of N-(3-cyclopentylpropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-cyclopentylpropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55828845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).