3-(2-chlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-4-carboxamide

C17H20ClN3O2 — CID 111471226

IUPAC3-(2-chlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2CCCC2O)c(-c2ccccc2Cl)n1
InChIInChI=1S/C17H20ClN3O2/c1-21-10-13(16(20-21)12-6-2-3-7-14(12)18)17(23)19-9-11-5-4-8-15(11)22/h2-3,6-7,10-11,15,22H,4-5,8-9H2,1H3,(H,19,23)
InChIKeyVHVJHNTUQSMRGR-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.63
Rot. Bonds4

About 3-(2-chlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-4-carboxamide

3-(2-chlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 111471226) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-4-carboxamide
PubChem CID111471226
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name3-(2-chlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2CCCC2O)c(-c2ccccc2Cl)n1
InChIInChI=1S/C17H20ClN3O2/c1-21-10-13(16(20-21)12-6-2-3-7-14(12)18)17(23)19-9-11-5-4-8-15(11)22/h2-3,6-7,10-11,15,22H,4-5,8-9H2,1H3,(H,19,23)
InChIKeyVHVJHNTUQSMRGR-UHFFFAOYSA-N
XLogP2.63
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-chlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-4-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 3-(2-chlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-4-carboxamide (CID 111471226) is 3-(2-chlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCC2CCCC2O)c(-c2ccccc2Cl)n1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is VHVJHNTUQSMRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-21-10-13(16(20-21)12-6-2-3-7-14(12)18)17(23)19-9-11-5-4-8-15(11)22/h2-3,6-7,10-11,15,22H,4-5,8-9H2,1H3,(H,19,23).
What are the key properties of 3-(2-chlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-4-carboxamide?
3-(2-chlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 111471226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).