N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide

C12H12ClN3O — CID 39724151

IUPACN-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NCc1ccccc1Cl
InChIInChI=1S/C12H12ClN3O/c13-11-5-2-1-4-10(11)8-14-12(17)9-16-7-3-6-15-16/h1-7H,8-9H2,(H,14,17)
InChIKeyWTQOOQAFLRYRSI-UHFFFAOYSA-N
MW249.70 g/mol
LogP1.85
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide

N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide (PubChem CID 39724151) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide
PubChem CID39724151
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC NameN-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NCc1ccccc1Cl
InChIInChI=1S/C12H12ClN3O/c13-11-5-2-1-4-10(11)8-14-12(17)9-16-7-3-6-15-16/h1-7H,8-9H2,(H,14,17)
InChIKeyWTQOOQAFLRYRSI-UHFFFAOYSA-N
XLogP1.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-pyrazol-1-yl-N-[(2-pyridin-3-ylphenyl)methyl]acetamide
CID 166339816
N-(2,6-dichlorophenyl)-2-pyrazol-1-ylacetamide
CID 110690005
1-[(2-chlorophenyl)methyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 34584858
N-[(2-chlorophenyl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 39854547
ethyl N-[1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112522549
1-[(2-chlorophenyl)methyl]-2-methyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111175141
N-[(2-chlorophenyl)methyl]-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
CID 66214231
N-[[4-(aminomethyl)phenyl]methyl]-2-pyrazol-1-ylacetamide
CID 81090478
N-[(2-chlorophenyl)methyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 7190221
2-(6-chloroindol-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55997984
2-(3,4-dichlorophenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55525747
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide (CID 39724151) is N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide?
The InChIKey is WTQOOQAFLRYRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-11-5-2-1-4-10(11)8-14-12(17)9-16-7-3-6-15-16/h1-7H,8-9H2,(H,14,17).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide?
N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide has a molecular weight of 249.70 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 39724151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).