2-(3-chlorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide

C12H12ClN3O — CID 154858274

IUPAC2-(3-chlorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide
SMILESCc1[nH]ncc1NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C12H12ClN3O/c1-8-11(7-14-16-8)15-12(17)6-9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3,(H,14,16)(H,15,17)
InChIKeyYSMRCXUJRFLNNU-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.55
Rot. Bonds3

About 2-(3-chlorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide

2-(3-chlorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide (PubChem CID 154858274) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide
PubChem CID154858274
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name2-(3-chlorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide
SMILESCc1[nH]ncc1NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C12H12ClN3O/c1-8-11(7-14-16-8)15-12(17)6-9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3,(H,14,16)(H,15,17)
InChIKeyYSMRCXUJRFLNNU-UHFFFAOYSA-N
XLogP2.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-chlorophenyl)-N-(5-methyl-1H-pyrazol-4-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

2-(3-chlorophenyl)-N-(1H-pyrazol-5-yl)acetamide
CID 60615735
2-(3-chlorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide
CID 167879678
2-(3-chlorophenyl)-N-(3-hydroxy-2,4-dimethylphenyl)acetamide
CID 122133355
N-(6-chloro-5-methyl-3-pyridinyl)-2-(3-chlorophenyl)acetamide
CID 103745271
N-(3-chlorophenyl)-2-(3-methylphenyl)acetamide
CID 9497443
2-(3-chlorophenyl)-N-[2-(methylaminomethyl)phenyl]acetamide
CID 62505669
2-(3-chlorophenyl)-N-[2-(dimethylamino)phenyl]acetamide
CID 53384824
N-(2-bromo-5-fluorophenyl)-2-(3-chlorophenyl)acetamide
CID 103753346
2-(3-chlorophenyl)-N-(2,6-difluoro-3-pyridinyl)acetamide
CID 103097835
2-(3-chlorophenyl)-N-[2-methyl-3-[[(R)-methylsulfinyl]methyl]phenyl]acetamide
CID 95770774
2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide
CID 130719724
2-(3-chlorophenyl)-N-pyrazin-2-ylacetamide
CID 127120451

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide (CID 154858274) is 2-(3-chlorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide is Cc1[nH]ncc1NC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is YSMRCXUJRFLNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-8-11(7-14-16-8)15-12(17)6-9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-(3-chlorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide?
2-(3-chlorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 249.70 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 154858274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).