N-cycloheptyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C25H32N4O2 — CID 71680722

IUPACN-cycloheptyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccccc3)cc12
InChIInChI=1S/C25H32N4O2/c1-2-3-11-16-28-18-21(24(30)26-20-14-9-4-5-10-15-20)25(31)29-23(28)17-22(27-29)19-12-7-6-8-13-19/h6-8,12-13,17-18,20H,2-5,9-11,14-16H2,1H3,(H,26,30)
InChIKeySLQJDOXEUFHUGL-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.81
Rot. Bonds7

About N-cycloheptyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-cycloheptyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 71680722) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-cycloheptyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID71680722
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-cycloheptyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccccc3)cc12
InChIInChI=1S/C25H32N4O2/c1-2-3-11-16-28-18-21(24(30)26-20-14-9-4-5-10-15-20)25(31)29-23(28)17-22(27-29)19-12-7-6-8-13-19/h6-8,12-13,17-18,20H,2-5,9-11,14-16H2,1H3,(H,26,30)
InChIKeySLQJDOXEUFHUGL-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
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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Related Compounds

N-cyclohexyl-2-(2-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71680879
N-cycloheptyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71681349
N-cyclohexyl-2-(2,4-dichlorophenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71681196
2-tert-butyl-N-cycloheptyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71680719
N-cyclohexyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811833
N-cycloheptyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 71563028
N-cycloheptyl-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953606
1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
CID 42161985
N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336117
N-(1-adamantyl)-2-(4-methylthiophen-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71681502
N-cyclopentyl-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 50795598
N-cyclohexyl-2-methyl-6-phenylpyridine-3-carboxamide
CID 3410229

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cycloheptyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 71680722) is N-cycloheptyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cycloheptyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cycloheptyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccccc3)cc12.
What is the InChIKey of N-cycloheptyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is SLQJDOXEUFHUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-2-3-11-16-28-18-21(24(30)26-20-14-9-4-5-10-15-20)25(31)29-23(28)17-22(27-29)19-12-7-6-8-13-19/h6-8,12-13,17-18,20H,2-5,9-11,14-16H2,1H3,(H,26,30).
What are the key properties of N-cycloheptyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-cycloheptyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 71680722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).