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

C16H10Cl2N2O2 — CID 3374104

IUPAC1-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1Cl
InChIInChI=1S/C16H10Cl2N2O2/c17-11-7-5-10(6-8-11)13-9-15(16(21)22)20(19-13)14-4-2-1-3-12(14)18/h1-9H,(H,21,22)
InChIKeyRSKMJAFPWSZYCB-UHFFFAOYSA-N
MW333.17 g/mol
LogP4.54
Rot. Bonds3

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

1-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid (PubChem CID 3374104) has the molecular formula C16H10Cl2N2O2 and a molecular weight of 333.17 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid
PubChem CID3374104
Molecular FormulaC16H10Cl2N2O2
Molecular Weight333.17 g/mol
Exact Mass332.01
IUPAC Name1-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1Cl
InChIInChI=1S/C16H10Cl2N2O2/c17-11-7-5-10(6-8-11)13-9-15(16(21)22)20(19-13)14-4-2-1-3-12(14)18/h1-9H,(H,21,22)
InChIKeyRSKMJAFPWSZYCB-UHFFFAOYSA-N
XLogP4.54
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid (CID 3374104) is 1-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid?
The InChIKey is RSKMJAFPWSZYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O2/c17-11-7-5-10(6-8-11)13-9-15(16(21)22)20(19-13)14-4-2-1-3-12(14)18/h1-9H,(H,21,22).
What are the key properties of 1-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid?
1-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid has a molecular weight of 333.17 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 3374104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).