5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-methoxyphenyl)pyrazole-3-carboxylic acid

C23H15Cl3N2O3 — CID 68567859

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-methoxyphenyl)pyrazole-3-carboxylic acid
SMILESCOc1ccccc1-c1c(C(=O)O)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H15Cl3N2O3/c1-31-19-5-3-2-4-16(19)20-21(23(29)30)27-28(18-11-10-15(25)12-17(18)26)22(20)13-6-8-14(24)9-7-13/h2-12H,1H3,(H,29,30)
InChIKeyWNEBRNDDYIZVML-UHFFFAOYSA-N
MW473.74 g/mol
LogP6.87
Rot. Bonds5

About 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-methoxyphenyl)pyrazole-3-carboxylic acid

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-methoxyphenyl)pyrazole-3-carboxylic acid (PubChem CID 68567859) has the molecular formula C23H15Cl3N2O3 and a molecular weight of 473.74 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-methoxyphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-methoxyphenyl)pyrazole-3-carboxylic acid
PubChem CID68567859
Molecular FormulaC23H15Cl3N2O3
Molecular Weight473.74 g/mol
Exact Mass472.01
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-methoxyphenyl)pyrazole-3-carboxylic acid
SMILESCOc1ccccc1-c1c(C(=O)O)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H15Cl3N2O3/c1-31-19-5-3-2-4-16(19)20-21(23(29)30)27-28(18-11-10-15(25)12-17(18)26)22(20)13-6-8-14(24)9-7-13/h2-12H,1H3,(H,29,30)
InChIKeyWNEBRNDDYIZVML-UHFFFAOYSA-N
XLogP6.87
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.74
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-4-phenyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxylic acid
CID 68802770
5-(4-chlorophenyl)-4-(cyanomethyl)-1-(2,4-dichlorophenyl)pyrazole-3-carboxylic acid
CID 19356255
methyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(fluoromethyl)pyrazole-3-carboxylate
CID 19356254
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 66844170
1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2,2,2-trifluoroethanone
CID 71654208
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methoxy-3-methylpyrazole
CID 66839207
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide
CID 23652282
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide;ethane
CID 143858232
3-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]benzoic acid
CID 164599675
ethyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxylate
CID 59781609
1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid
CID 82220353
N-(benzylcarbamoyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 25158723

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-methoxyphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-methoxyphenyl)pyrazole-3-carboxylic acid (CID 68567859) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-methoxyphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-methoxyphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-methoxyphenyl)pyrazole-3-carboxylic acid is COc1ccccc1-c1c(C(=O)O)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-methoxyphenyl)pyrazole-3-carboxylic acid?
The InChIKey is WNEBRNDDYIZVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl3N2O3/c1-31-19-5-3-2-4-16(19)20-21(23(29)30)27-28(18-11-10-15(25)12-17(18)26)22(20)13-6-8-14(24)9-7-13/h2-12H,1H3,(H,29,30).
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-methoxyphenyl)pyrazole-3-carboxylic acid?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-methoxyphenyl)pyrazole-3-carboxylic acid has a molecular weight of 473.74 g/mol, XLogP of 6.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-methoxyphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 68567859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).