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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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).