(4-acetamidophenyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate

C20H19N3O3 — CID 51868857

IUPAC(4-acetamidophenyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
SMILESCC(=O)Nc1ccc(OC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C20H19N3O3/c1-13-19(14(2)23(22-13)17-7-5-4-6-8-17)20(25)26-18-11-9-16(10-12-18)21-15(3)24/h4-12H,1-3H3,(H,21,24)
InChIKeyHIZYOIIYUKPPOP-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.67
Rot. Bonds4

About (4-acetamidophenyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate

(4-acetamidophenyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate (PubChem CID 51868857) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (4-acetamidophenyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(4-acetamidophenyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
PubChem CID51868857
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(4-acetamidophenyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
SMILESCC(=O)Nc1ccc(OC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C20H19N3O3/c1-13-19(14(2)23(22-13)17-7-5-4-6-8-17)20(25)26-18-11-9-16(10-12-18)21-15(3)24/h4-12H,1-3H3,(H,21,24)
InChIKeyHIZYOIIYUKPPOP-UHFFFAOYSA-N
XLogP3.67
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-acetamidophenyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate 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-acetamidophenyl)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 8575341
[(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 8575282
N-[4-[(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxoprop-1-enyl]phenyl]acetamide
CID 47824633
(4-acetamidophenyl) 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
CID 56809288
N-(4-cyclopentyloxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 46570793
2-[[4-(4-ethoxycarbonyl-3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]benzoic acid
CID 2740659
N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 26245099
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 8881800
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 7557154
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 8880607
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9209660
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 8881923

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate?
The IUPAC name of (4-acetamidophenyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate (CID 51868857) is (4-acetamidophenyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for (4-acetamidophenyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for (4-acetamidophenyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate is CC(=O)Nc1ccc(OC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1.
What is the InChIKey of (4-acetamidophenyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate?
The InChIKey is HIZYOIIYUKPPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-19(14(2)23(22-13)17-7-5-4-6-8-17)20(25)26-18-11-9-16(10-12-18)21-15(3)24/h4-12H,1-3H3,(H,21,24).
What are the key properties of (4-acetamidophenyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate?
(4-acetamidophenyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 51868857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).