1-(4-bromophenyl)pyrazole-4-carboxylic acid

C10H7BrN2O2 — CID 11601417

IUPAC1-(4-bromophenyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccc(Br)cc2)c1
InChIInChI=1S/C10H7BrN2O2/c11-8-1-3-9(4-2-8)13-6-7(5-12-13)10(14)15/h1-6H,(H,14,15)
InChIKeyGOJGAUFDFLULIK-UHFFFAOYSA-N
MW267.08 g/mol
LogP2.33
Rot. Bonds2

About 1-(4-bromophenyl)pyrazole-4-carboxylic acid

1-(4-bromophenyl)pyrazole-4-carboxylic acid (PubChem CID 11601417) has the molecular formula C10H7BrN2O2 and a molecular weight of 267.08 g/mol. Its IUPAC name is 1-(4-bromophenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-bromophenyl)pyrazole-4-carboxylic acid
PubChem CID11601417
Molecular FormulaC10H7BrN2O2
Molecular Weight267.08 g/mol
Exact Mass265.97
IUPAC Name1-(4-bromophenyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccc(Br)cc2)c1
InChIInChI=1S/C10H7BrN2O2/c11-8-1-3-9(4-2-8)13-6-7(5-12-13)10(14)15/h1-6H,(H,14,15)
InChIKeyGOJGAUFDFLULIK-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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Related Compounds

1-(4-ethylphenyl)pyrazole-4-carboxylic acid
CID 82365536
1-(4-bromo-3-fluorophenyl)pyrazole-4-carboxylic acid
CID 130121157
1-(3-bromo-4-fluorophenyl)pyrazole-4-carboxylic acid
CID 130121228
1-(4-bromo-3-methylphenyl)pyrazole-4-carboxylic acid
CID 82489333
1-[4-(1,3-dioxol-2-yl)phenyl]pyrazole-4-carboxylic acid
CID 171475014
1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide
CID 47242136
1-[1-(4-bromophenyl)pyrazole-4-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258108
4-bromo-1-(4-bromophenyl)pyrazole
CID 15940041
1-naphthalen-2-ylpyrazole-4-carboxylic acid
CID 53415770
1-(4-bromophenyl)-N,N-bis(cyanomethyl)pyrazole-4-carboxamide
CID 60612707
1-(4-bromophenyl)-N-(3-hydroxypropyl)pyrazole-4-carboxamide
CID 78888800
1-(4-butylphenyl)pyrazole-4-carboxylic acid
CID 82365506

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-bromophenyl)pyrazole-4-carboxylic acid (CID 11601417) is 1-(4-bromophenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-bromophenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-bromophenyl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ccc(Br)cc2)c1.
What is the InChIKey of 1-(4-bromophenyl)pyrazole-4-carboxylic acid?
The InChIKey is GOJGAUFDFLULIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2/c11-8-1-3-9(4-2-8)13-6-7(5-12-13)10(14)15/h1-6H,(H,14,15).
What are the key properties of 1-(4-bromophenyl)pyrazole-4-carboxylic acid?
1-(4-bromophenyl)pyrazole-4-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 1-(4-bromophenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 11601417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).