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

C16H9Cl3N2O2 — CID 171559503

IUPAC3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H9Cl3N2O2/c17-10-3-1-9(2-4-10)13-8-15(16(22)23)21(20-13)14-6-5-11(18)7-12(14)19/h1-8H,(H,22,23)
InChIKeyQSNCWCAGTAEQGH-UHFFFAOYSA-N
MW367.62 g/mol
LogP5.20
Rot. Bonds3

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

3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazole-5-carboxylic acid (PubChem CID 171559503) has the molecular formula C16H9Cl3N2O2 and a molecular weight of 367.62 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazole-5-carboxylic acid
PubChem CID171559503
Molecular FormulaC16H9Cl3N2O2
Molecular Weight367.62 g/mol
Exact Mass365.97
IUPAC Name3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H9Cl3N2O2/c17-10-3-1-9(2-4-10)13-8-15(16(22)23)21(20-13)14-6-5-11(18)7-12(14)19/h1-8H,(H,22,23)
InChIKeyQSNCWCAGTAEQGH-UHFFFAOYSA-N
XLogP5.20
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carboxylic acid
CID 5094292
1-(2,4-dichlorophenyl)-3-phenylpyrazol-5-amine
CID 43381347
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 91871386
1-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)pyrazole-5-carboxylic acid
CID 91871325
5-(4-chlorophenyl)-4-(cyanomethyl)-1-(2,4-dichlorophenyl)pyrazole-3-carboxylic acid
CID 19356255
1-(3-chlorophenyl)-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carboxylic acid
CID 91871393
3-(4-bromophenyl)-1-[(2,5-dichlorophenyl)methyl]pyrazole-5-carboxylic acid
CID 91871341
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 66844170
3-(2,4-dichlorophenyl)-1-propylpyrazole-5-carboxylic acid
CID 84761141
N-[4-[1-(2,4-dichlorophenyl)-5-(N'-methanimidoylcarbamimidoyl)pyrazol-3-yl]-2-pyridinyl]acetamide
CID 123392918
1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2,2,2-trifluoroethanone
CID 71654208
[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone
CID 7249326

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazole-5-carboxylic acid (CID 171559503) is 3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazole-5-carboxylic acid?
The InChIKey is QSNCWCAGTAEQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl3N2O2/c17-10-3-1-9(2-4-10)13-8-15(16(22)23)21(20-13)14-6-5-11(18)7-12(14)19/h1-8H,(H,22,23).
What are the key properties of 3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazole-5-carboxylic acid?
3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazole-5-carboxylic acid has a molecular weight of 367.62 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 171559503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).