N-[3-(3-chlorophenyl)-1-phenylpyrazol-5-yl]-2-phenoxyacetamide

C23H18ClN3O2 — CID 50802676

IUPACN-[3-(3-chlorophenyl)-1-phenylpyrazol-5-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1cc(-c2cccc(Cl)c2)nn1-c1ccccc1
InChIInChI=1S/C23H18ClN3O2/c24-18-9-7-8-17(14-18)21-15-22(27(26-21)19-10-3-1-4-11-19)25-23(28)16-29-20-12-5-2-6-13-20/h1-15H,16H2,(H,25,28)
InChIKeyTUSYQQBFRQPTNI-UHFFFAOYSA-N
MW403.87 g/mol
LogP5.21
Rot. Bonds6

About N-[3-(3-chlorophenyl)-1-phenylpyrazol-5-yl]-2-phenoxyacetamide

N-[3-(3-chlorophenyl)-1-phenylpyrazol-5-yl]-2-phenoxyacetamide (PubChem CID 50802676) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-1-phenylpyrazol-5-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-1-phenylpyrazol-5-yl]-2-phenoxyacetamide
PubChem CID50802676
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC NameN-[3-(3-chlorophenyl)-1-phenylpyrazol-5-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1cc(-c2cccc(Cl)c2)nn1-c1ccccc1
InChIInChI=1S/C23H18ClN3O2/c24-18-9-7-8-17(14-18)21-15-22(27(26-21)19-10-3-1-4-11-19)25-23(28)16-29-20-12-5-2-6-13-20/h1-15H,16H2,(H,25,28)
InChIKeyTUSYQQBFRQPTNI-UHFFFAOYSA-N
XLogP5.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(3-chlorophenyl)-1-phenylpyrazol-5-yl]-2-phenoxyacetamide 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-(4-methoxyphenoxy)-N-[3-(3-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
CID 50802659
2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 3986712
2-O-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505614
3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
CID 134799352
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55870563
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide
CID 42731746
2-(3,5-difluorophenoxy)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 53384949
[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 7696915
2-(3-chlorophenoxy)-N-(2-phenylphenyl)acetamide
CID 7818854
[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 16522577
2-[(2,6-dichlorophenyl)carbamoyl-ethylamino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 3313857

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-1-phenylpyrazol-5-yl]-2-phenoxyacetamide?
The IUPAC name of N-[3-(3-chlorophenyl)-1-phenylpyrazol-5-yl]-2-phenoxyacetamide (CID 50802676) is N-[3-(3-chlorophenyl)-1-phenylpyrazol-5-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-1-phenylpyrazol-5-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-1-phenylpyrazol-5-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1cc(-c2cccc(Cl)c2)nn1-c1ccccc1.
What is the InChIKey of N-[3-(3-chlorophenyl)-1-phenylpyrazol-5-yl]-2-phenoxyacetamide?
The InChIKey is TUSYQQBFRQPTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c24-18-9-7-8-17(14-18)21-15-22(27(26-21)19-10-3-1-4-11-19)25-23(28)16-29-20-12-5-2-6-13-20/h1-15H,16H2,(H,25,28).
What are the key properties of N-[3-(3-chlorophenyl)-1-phenylpyrazol-5-yl]-2-phenoxyacetamide?
N-[3-(3-chlorophenyl)-1-phenylpyrazol-5-yl]-2-phenoxyacetamide has a molecular weight of 403.87 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-1-phenylpyrazol-5-yl]-2-phenoxyacetamide is sourced from PubChem (CID 50802676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).