3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,5-dihydropyrazole-5-carbonyl chloride

C17H12Cl4N2O — CID 143596743

IUPAC3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,5-dihydropyrazole-5-carbonyl chloride
SMILESCC1=C(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2Cl)NC1C(=O)Cl
InChIInChI=1S/C17H12Cl4N2O/c1-9-15(17(21)24)22-23(14-7-6-12(19)8-13(14)20)16(9)10-2-4-11(18)5-3-10/h2-8,15,22H,1H3
InChIKeyPMSCCAKMQWMEFQ-UHFFFAOYSA-N
MW402.11 g/mol
LogP5.54
Rot. Bonds3

About 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,5-dihydropyrazole-5-carbonyl chloride

3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,5-dihydropyrazole-5-carbonyl chloride (PubChem CID 143596743) has the molecular formula C17H12Cl4N2O and a molecular weight of 402.11 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,5-dihydropyrazole-5-carbonyl chloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,5-dihydropyrazole-5-carbonyl chloride
PubChem CID143596743
Molecular FormulaC17H12Cl4N2O
Molecular Weight402.11 g/mol
Exact Mass399.97
IUPAC Name3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,5-dihydropyrazole-5-carbonyl chloride
SMILESCC1=C(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2Cl)NC1C(=O)Cl
InChIInChI=1S/C17H12Cl4N2O/c1-9-15(17(21)24)22-23(14-7-6-12(19)8-13(14)20)16(9)10-2-4-11(18)5-3-10/h2-8,15,22H,1H3
InChIKeyPMSCCAKMQWMEFQ-UHFFFAOYSA-N
XLogP5.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.11
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,5-dihydropyrazole-5-carbonyl chloride 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-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 66844170
3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazole-5-carboxylic acid
CID 171559503
1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2,2,2-trifluoroethanone
CID 71654208
methyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazolidine-3-carboxylate
CID 69303989
2-(2,4-dichlorophenyl)-1H-pyrazol-3-one
CID 112656212
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide;ethane
CID 143858232
2-(2,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
CID 134938574
2-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazinane-3,5-dione
CID 171984926
N-(aminomethyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 69235606
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(2-methylpropan-2-yl)oxy]-1,2,4-triazole-3-carboxamide
CID 87516471
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide
CID 23652126
5-(4-chlorophenyl)-N-cyclopentyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 23652123

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,5-dihydropyrazole-5-carbonyl chloride?
The IUPAC name of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,5-dihydropyrazole-5-carbonyl chloride (CID 143596743) is 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,5-dihydropyrazole-5-carbonyl chloride.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,5-dihydropyrazole-5-carbonyl chloride?
The canonical SMILES for 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,5-dihydropyrazole-5-carbonyl chloride is CC1=C(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2Cl)NC1C(=O)Cl.
What is the InChIKey of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,5-dihydropyrazole-5-carbonyl chloride?
The InChIKey is PMSCCAKMQWMEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl4N2O/c1-9-15(17(21)24)22-23(14-7-6-12(19)8-13(14)20)16(9)10-2-4-11(18)5-3-10/h2-8,15,22H,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,5-dihydropyrazole-5-carbonyl chloride?
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,5-dihydropyrazole-5-carbonyl chloride has a molecular weight of 402.11 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,5-dihydropyrazole-5-carbonyl chloride is sourced from PubChem (CID 143596743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).