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

C25H32N4O2 — CID 71680882

IUPACN-cyclohexyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccc(C)cc3)cc12
InChIInChI=1S/C25H32N4O2/c1-3-4-8-15-28-17-21(24(30)26-20-9-6-5-7-10-20)25(31)29-23(28)16-22(27-29)19-13-11-18(2)12-14-19/h11-14,16-17,20H,3-10,15H2,1-2H3,(H,26,30)
InChIKeyAMGJQOOMWKAPNL-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.72
Rot. Bonds7

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

N-cyclohexyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 71680882) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID71680882
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-cyclohexyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccc(C)cc3)cc12
InChIInChI=1S/C25H32N4O2/c1-3-4-8-15-28-17-21(24(30)26-20-9-6-5-7-10-20)25(31)29-23(28)16-22(27-29)19-13-11-18(2)12-14-19/h11-14,16-17,20H,3-10,15H2,1-2H3,(H,26,30)
InChIKeyAMGJQOOMWKAPNL-UHFFFAOYSA-N
XLogP4.72
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.72
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 N-cyclohexyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclohexyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 71680882) is N-cyclohexyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccc(C)cc3)cc12.
What is the InChIKey of N-cyclohexyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is AMGJQOOMWKAPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-3-4-8-15-28-17-21(24(30)26-20-9-6-5-7-10-20)25(31)29-23(28)16-22(27-29)19-13-11-18(2)12-14-19/h11-14,16-17,20H,3-10,15H2,1-2H3,(H,26,30).
What are the key properties of N-cyclohexyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-cyclohexyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 71680882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).