2-(4-chlorophenyl)-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C24H29ClN4O2 — CID 71681193

IUPAC2-(4-chlorophenyl)-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C24H29ClN4O2/c1-2-3-7-14-28-16-20(23(30)26-19-8-5-4-6-9-19)24(31)29-22(28)15-21(27-29)17-10-12-18(25)13-11-17/h10-13,15-16,19H,2-9,14H2,1H3,(H,26,30)
InChIKeyZVQRGTNXPYHJBF-UHFFFAOYSA-N
MW440.98 g/mol
LogP5.07
Rot. Bonds7

About 2-(4-chlorophenyl)-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide

2-(4-chlorophenyl)-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 71681193) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID71681193
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC Name2-(4-chlorophenyl)-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C24H29ClN4O2/c1-2-3-7-14-28-16-20(23(30)26-19-8-5-4-6-9-19)24(31)29-22(28)15-21(27-29)17-10-12-18(25)13-11-17/h10-13,15-16,19H,2-9,14H2,1H3,(H,26,30)
InChIKeyZVQRGTNXPYHJBF-UHFFFAOYSA-N
XLogP5.07
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.98
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(4-chlorophenyl)-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 71681193) is 2-(4-chlorophenyl)-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is ZVQRGTNXPYHJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c1-2-3-7-14-28-16-20(23(30)26-19-8-5-4-6-9-19)24(31)29-22(28)15-21(27-29)17-10-12-18(25)13-11-17/h10-13,15-16,19H,2-9,14H2,1H3,(H,26,30).
What are the key properties of 2-(4-chlorophenyl)-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-(4-chlorophenyl)-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 440.98 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 71681193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).