1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide

C17H19ClN4O2 — CID 146124206

IUPAC1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide
SMILESCc1cn(-c2ccccc2Cl)nc1C(=O)NC1CCCCNC1=O
InChIInChI=1S/C17H19ClN4O2/c1-11-10-22(14-8-3-2-6-12(14)18)21-15(11)17(24)20-13-7-4-5-9-19-16(13)23/h2-3,6,8,10,13H,4-5,7,9H2,1H3,(H,19,23)(H,20,24)
InChIKeyBWZROOILJOUNDX-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.23
Rot. Bonds3

About 1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide

1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide (PubChem CID 146124206) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide
PubChem CID146124206
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide
SMILESCc1cn(-c2ccccc2Cl)nc1C(=O)NC1CCCCNC1=O
InChIInChI=1S/C17H19ClN4O2/c1-11-10-22(14-8-3-2-6-12(14)18)21-15(11)17(24)20-13-7-4-5-9-19-16(13)23/h2-3,6,8,10,13H,4-5,7,9H2,1H3,(H,19,23)(H,20,24)
InChIKeyBWZROOILJOUNDX-UHFFFAOYSA-N
XLogP2.23
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-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 1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide (CID 146124206) is 1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide is Cc1cn(-c2ccccc2Cl)nc1C(=O)NC1CCCCNC1=O.
What is the InChIKey of 1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide?
The InChIKey is BWZROOILJOUNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-11-10-22(14-8-3-2-6-12(14)18)21-15(11)17(24)20-13-7-4-5-9-19-16(13)23/h2-3,6,8,10,13H,4-5,7,9H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide?
1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 146124206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).