4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid

C16H10ClFN2O2 — CID 13090185

IUPAC4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(F)cc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H10ClFN2O2/c17-11-3-1-10(2-4-11)14-9-20(19-15(14)16(21)22)13-7-5-12(18)6-8-13/h1-9H,(H,21,22)
InChIKeyANTNOXZANNZKPK-UHFFFAOYSA-N
MW316.72 g/mol
LogP4.03
Rot. Bonds3

About 4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid

4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid (PubChem CID 13090185) has the molecular formula C16H10ClFN2O2 and a molecular weight of 316.72 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid
PubChem CID13090185
Molecular FormulaC16H10ClFN2O2
Molecular Weight316.72 g/mol
Exact Mass316.04
IUPAC Name4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(F)cc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H10ClFN2O2/c17-11-3-1-10(2-4-11)14-9-20(19-15(14)16(21)22)13-7-5-12(18)6-8-13/h1-9H,(H,21,22)
InChIKeyANTNOXZANNZKPK-UHFFFAOYSA-N
XLogP4.03
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.72
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid (CID 13090185) is 4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid is O=C(O)c1nn(-c2ccc(F)cc2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid?
The InChIKey is ANTNOXZANNZKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2O2/c17-11-3-1-10(2-4-11)14-9-20(19-15(14)16(21)22)13-7-5-12(18)6-8-13/h1-9H,(H,21,22).
What are the key properties of 4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid?
4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid has a molecular weight of 316.72 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 13090185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).