5-(4-chlorophenyl)-1-(2,4-dimethylphenyl)-3-methylpyrazole-4-carboxylate

C19H16ClN2O2- — CID 7144432

IUPAC5-(4-chlorophenyl)-1-(2,4-dimethylphenyl)-3-methylpyrazole-4-carboxylate
SMILESCc1ccc(-n2nc(C)c(C(=O)[O-])c2-c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C19H17ClN2O2/c1-11-4-9-16(12(2)10-11)22-18(14-5-7-15(20)8-6-14)17(19(23)24)13(3)21-22/h4-10H,1-3H3,(H,23,24)/p-1
InChIKeyLIQGKCANZRDQPC-UHFFFAOYSA-M
MW339.80 g/mol
LogP3.48
Rot. Bonds3

About 5-(4-chlorophenyl)-1-(2,4-dimethylphenyl)-3-methylpyrazole-4-carboxylate

5-(4-chlorophenyl)-1-(2,4-dimethylphenyl)-3-methylpyrazole-4-carboxylate (PubChem CID 7144432) has the molecular formula C19H16ClN2O2- and a molecular weight of 339.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dimethylphenyl)-3-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dimethylphenyl)-3-methylpyrazole-4-carboxylate
PubChem CID7144432
Molecular FormulaC19H16ClN2O2-
Molecular Weight339.80 g/mol
Exact Mass339.09
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dimethylphenyl)-3-methylpyrazole-4-carboxylate
SMILESCc1ccc(-n2nc(C)c(C(=O)[O-])c2-c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C19H17ClN2O2/c1-11-4-9-16(12(2)10-11)22-18(14-5-7-15(20)8-6-14)17(19(23)24)13(3)21-22/h4-10H,1-3H3,(H,23,24)/p-1
InChIKeyLIQGKCANZRDQPC-UHFFFAOYSA-M
XLogP3.48
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)-1-(2,4-dimethylphenyl)-3-methylpyrazole-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

1-(2,4-dimethylphenyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 39348257
1-[1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)pyrazol-3-yl]ethanone
CID 168890623
N-[3-(2-adamantyl)propyl]-5-(4-chlorophenyl)-1-(2,4-dimethylphenyl)-4-methylpyrazole-3-carboxamide
CID 163482234
2-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazole-4-carboxylic acid
CID 82212267
5-chloro-1-(2,4-dimethylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 43381634
1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 4988708
5-[[1-(4-chloro-2-methylphenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]amino]pentanoic acid
CID 24748077
5-amino-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 82119560
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 66844170
1-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)pyrazole-4-carboxylic acid
CID 82072143
2-[5-bromo-1-(2,4-dimethylphenyl)-3-methylpyrazol-4-yl]acetic acid
CID 116817945
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methoxy-3-methylpyrazole
CID 66839207

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dimethylphenyl)-3-methylpyrazole-4-carboxylate?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dimethylphenyl)-3-methylpyrazole-4-carboxylate (CID 7144432) is 5-(4-chlorophenyl)-1-(2,4-dimethylphenyl)-3-methylpyrazole-4-carboxylate.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dimethylphenyl)-3-methylpyrazole-4-carboxylate?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dimethylphenyl)-3-methylpyrazole-4-carboxylate is Cc1ccc(-n2nc(C)c(C(=O)[O-])c2-c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dimethylphenyl)-3-methylpyrazole-4-carboxylate?
The InChIKey is LIQGKCANZRDQPC-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H17ClN2O2/c1-11-4-9-16(12(2)10-11)22-18(14-5-7-15(20)8-6-14)17(19(23)24)13(3)21-22/h4-10H,1-3H3,(H,23,24)/p-1.
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dimethylphenyl)-3-methylpyrazole-4-carboxylate?
5-(4-chlorophenyl)-1-(2,4-dimethylphenyl)-3-methylpyrazole-4-carboxylate has a molecular weight of 339.80 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2,4-dimethylphenyl)-3-methylpyrazole-4-carboxylate is sourced from PubChem (CID 7144432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).