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

C16H10BrClN2O2 — CID 3281091

IUPAC1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(Br)cc1
InChIInChI=1S/C16H10BrClN2O2/c17-11-3-7-13(8-4-11)20-15(16(21)22)9-14(19-20)10-1-5-12(18)6-2-10/h1-9H,(H,21,22)
InChIKeyOMZRYNOJVXGJHV-UHFFFAOYSA-N
MW377.63 g/mol
LogP4.65
Rot. Bonds3

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

1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid (PubChem CID 3281091) has the molecular formula C16H10BrClN2O2 and a molecular weight of 377.63 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid
PubChem CID3281091
Molecular FormulaC16H10BrClN2O2
Molecular Weight377.63 g/mol
Exact Mass375.96
IUPAC Name1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(Br)cc1
InChIInChI=1S/C16H10BrClN2O2/c17-11-3-7-13(8-4-11)20-15(16(21)22)9-14(19-20)10-1-5-12(18)6-2-10/h1-9H,(H,21,22)
InChIKeyOMZRYNOJVXGJHV-UHFFFAOYSA-N
XLogP4.65
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.63
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid (CID 3281091) is 1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid?
The InChIKey is OMZRYNOJVXGJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClN2O2/c17-11-3-7-13(8-4-11)20-15(16(21)22)9-14(19-20)10-1-5-12(18)6-2-10/h1-9H,(H,21,22).
What are the key properties of 1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid?
1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid has a molecular weight of 377.63 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 3281091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).