N-[(4-chlorophenyl)methyl]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide

C12H12ClN3O2 — CID 70563287

IUPACN-[(4-chlorophenyl)methyl]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
SMILESO=C(Cc1cc(=O)[nH][nH]1)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O2/c13-9-3-1-8(2-4-9)7-14-11(17)5-10-6-12(18)16-15-10/h1-4,6H,5,7H2,(H,14,17)(H2,15,16,18)
InChIKeyGGGYRFFRRYTZEQ-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.22
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide

N-[(4-chlorophenyl)methyl]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide (PubChem CID 70563287) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
PubChem CID70563287
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
SMILESO=C(Cc1cc(=O)[nH][nH]1)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O2/c13-9-3-1-8(2-4-9)7-14-11(17)5-10-6-12(18)16-15-10/h1-4,6H,5,7H2,(H,14,17)(H2,15,16,18)
InChIKeyGGGYRFFRRYTZEQ-UHFFFAOYSA-N
XLogP1.22
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorophenyl)methyl]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide 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

N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021
N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684075
N-[(4-chlorophenyl)methyl]-2-(3,4-dihydroxyphenyl)acetamide
CID 113199023
N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 62309826
2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 113209503
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]azanium
CID 9335490
2-(5-chloro-1H-indol-3-yl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]acetamide
CID 110625376
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 47380839
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110285268
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112992693
4-[(4-chlorophenyl)methylamino]-4-oxobutanoic acid
CID 879591

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide (CID 70563287) is N-[(4-chlorophenyl)methyl]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide is O=C(Cc1cc(=O)[nH][nH]1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide?
The InChIKey is GGGYRFFRRYTZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c13-9-3-1-8(2-4-9)7-14-11(17)5-10-6-12(18)16-15-10/h1-4,6H,5,7H2,(H,14,17)(H2,15,16,18).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide has a molecular weight of 265.70 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide is sourced from PubChem (CID 70563287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).