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

C25H31ClN4O2 — CID 71681041

IUPAC2-(2-chlorophenyl)-N-cycloheptyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccccc3Cl)cc12
InChIInChI=1S/C25H31ClN4O2/c1-2-3-10-15-29-17-20(24(31)27-18-11-6-4-5-7-12-18)25(32)30-23(29)16-22(28-30)19-13-8-9-14-21(19)26/h8-9,13-14,16-18H,2-7,10-12,15H2,1H3,(H,27,31)
InChIKeyBEVZFANGLKCLRI-UHFFFAOYSA-N
MW455.00 g/mol
LogP5.46
Rot. Bonds7

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

2-(2-chlorophenyl)-N-cycloheptyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 71681041) has the molecular formula C25H31ClN4O2 and a molecular weight of 455.00 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-cycloheptyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-cycloheptyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID71681041
Molecular FormulaC25H31ClN4O2
Molecular Weight455.00 g/mol
Exact Mass454.21
IUPAC Name2-(2-chlorophenyl)-N-cycloheptyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccccc3Cl)cc12
InChIInChI=1S/C25H31ClN4O2/c1-2-3-10-15-29-17-20(24(31)27-18-11-6-4-5-7-12-18)25(32)30-23(29)16-22(28-30)19-13-8-9-14-21(19)26/h8-9,13-14,16-18H,2-7,10-12,15H2,1H3,(H,27,31)
InChIKeyBEVZFANGLKCLRI-UHFFFAOYSA-N
XLogP5.46
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.00
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-chlorophenyl)-N-cycloheptyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-cycloheptyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-cycloheptyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 71681041) is 2-(2-chlorophenyl)-N-cycloheptyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-cycloheptyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-cycloheptyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccccc3Cl)cc12.
What is the InChIKey of 2-(2-chlorophenyl)-N-cycloheptyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is BEVZFANGLKCLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O2/c1-2-3-10-15-29-17-20(24(31)27-18-11-6-4-5-7-12-18)25(32)30-23(29)16-22(28-30)19-13-8-9-14-21(19)26/h8-9,13-14,16-18H,2-7,10-12,15H2,1H3,(H,27,31).
What are the key properties of 2-(2-chlorophenyl)-N-cycloheptyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-(2-chlorophenyl)-N-cycloheptyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 455.00 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-cycloheptyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 71681041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).