2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide

C12H12ClN3O — CID 599269

IUPAC2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CCl)n(-c2ccccc2)n1
InChIInChI=1S/C12H12ClN3O/c1-9-7-11(14-12(17)8-13)16(15-9)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,17)
InChIKeyWITNPEBNOYWOGB-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.36
Rot. Bonds3

About 2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide

2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide (PubChem CID 599269) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
PubChem CID599269
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CCl)n(-c2ccccc2)n1
InChIInChI=1S/C12H12ClN3O/c1-9-7-11(14-12(17)8-13)16(15-9)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,17)
InChIKeyWITNPEBNOYWOGB-UHFFFAOYSA-N
XLogP2.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-(5-methyl-2-phenylpyrazol-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

5-Amino-3-methyl-1-phenylpyrazole
CID 70801
ML297
CID 56642816
3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 736191
methyl N-(5-methyl-1-phenyl-1H-pyrazol-3-yl)carbamate
CID 2726215
2-chloro-N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetamide
CID 2452200
N-(3-chlorophenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CID 2815115
1-Phenyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-6-ol
CID 135491988
2-chloro-N-(1,3-diphenyl-1H-pyrazol-5-yl)acetamide
CID 2369606
2-chloro-N-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]acetamide
CID 2453580
2-cyano-N-[3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]acetamide
CID 2440126
1-(2-Tert-butyl-5-methylpyrazol-3-yl)-3-(3-chlorophenyl)urea
CID 2447447
1-(2-Tert-butyl-5-methylpyrazol-3-yl)-3-phenylurea
CID 2818791

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The IUPAC name of 2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide (CID 599269) is 2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)CCl)n(-c2ccccc2)n1.
What is the InChIKey of 2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The InChIKey is WITNPEBNOYWOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-9-7-11(14-12(17)8-13)16(15-9)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,17).
What are the key properties of 2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide has a molecular weight of 249.70 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide is sourced from PubChem (CID 599269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).