2-(3-bromophenyl)pyrazole-3-carboxylic acid

C10H7BrN2O2 — CID 83740815

IUPAC2-(3-bromophenyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccnn1-c1cccc(Br)c1
InChIInChI=1S/C10H7BrN2O2/c11-7-2-1-3-8(6-7)13-9(10(14)15)4-5-12-13/h1-6H,(H,14,15)
InChIKeyWARKJARUJVWFJV-UHFFFAOYSA-N
MW267.08 g/mol
LogP2.33
Rot. Bonds2

About 2-(3-bromophenyl)pyrazole-3-carboxylic acid

2-(3-bromophenyl)pyrazole-3-carboxylic acid (PubChem CID 83740815) has the molecular formula C10H7BrN2O2 and a molecular weight of 267.08 g/mol. Its IUPAC name is 2-(3-bromophenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromophenyl)pyrazole-3-carboxylic acid
PubChem CID83740815
Molecular FormulaC10H7BrN2O2
Molecular Weight267.08 g/mol
Exact Mass265.97
IUPAC Name2-(3-bromophenyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccnn1-c1cccc(Br)c1
InChIInChI=1S/C10H7BrN2O2/c11-7-2-1-3-8(6-7)13-9(10(14)15)4-5-12-13/h1-6H,(H,14,15)
InChIKeyWARKJARUJVWFJV-UHFFFAOYSA-N
XLogP2.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 2-(3-bromophenyl)pyrazole-3-carboxylic acid (CID 83740815) is 2-(3-bromophenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-(3-bromophenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 2-(3-bromophenyl)pyrazole-3-carboxylic acid is O=C(O)c1ccnn1-c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)pyrazole-3-carboxylic acid?
The InChIKey is WARKJARUJVWFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2/c11-7-2-1-3-8(6-7)13-9(10(14)15)4-5-12-13/h1-6H,(H,14,15).
What are the key properties of 2-(3-bromophenyl)pyrazole-3-carboxylic acid?
2-(3-bromophenyl)pyrazole-3-carboxylic acid has a molecular weight of 267.08 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 83740815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).