N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide

C17H20ClN3O — CID 42687166

IUPACN-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide
SMILESCc1[nH]nc(-c2ccccc2Cl)c1NC(=O)CC1CCCC1
InChIInChI=1S/C17H20ClN3O/c1-11-16(19-15(22)10-12-6-2-3-7-12)17(21-20-11)13-8-4-5-9-14(13)18/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyNQIYEWHVRNHTSC-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.56
Rot. Bonds4

About N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide

N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide (PubChem CID 42687166) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide
PubChem CID42687166
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide
SMILESCc1[nH]nc(-c2ccccc2Cl)c1NC(=O)CC1CCCC1
InChIInChI=1S/C17H20ClN3O/c1-11-16(19-15(22)10-12-6-2-3-7-12)17(21-20-11)13-8-4-5-9-14(13)18/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyNQIYEWHVRNHTSC-UHFFFAOYSA-N
XLogP4.56
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide 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 N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide?
The IUPAC name of N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide (CID 42687166) is N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide?
The canonical SMILES for N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide is Cc1[nH]nc(-c2ccccc2Cl)c1NC(=O)CC1CCCC1.
What is the InChIKey of N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide?
The InChIKey is NQIYEWHVRNHTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-11-16(19-15(22)10-12-6-2-3-7-12)17(21-20-11)13-8-4-5-9-14(13)18/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide?
N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide has a molecular weight of 317.82 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide is sourced from PubChem (CID 42687166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).