2-(3-bromophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carboxylic acid

C10H7BrN2O4 — CID 137000062

IUPAC2-(3-bromophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1c(O)n(-c2cccc(Br)c2)[nH]c1=O
InChIInChI=1S/C10H7BrN2O4/c11-5-2-1-3-6(4-5)13-9(15)7(10(16)17)8(14)12-13/h1-4,15H,(H,12,14)(H,16,17)
InChIKeyBYNIDSZXRWMVHZ-UHFFFAOYSA-N
MW299.08 g/mol
LogP1.33
Rot. Bonds2

About 2-(3-bromophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carboxylic acid

2-(3-bromophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carboxylic acid (PubChem CID 137000062) has the molecular formula C10H7BrN2O4 and a molecular weight of 299.08 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carboxylic acid
PubChem CID137000062
Molecular FormulaC10H7BrN2O4
Molecular Weight299.08 g/mol
Exact Mass297.96
IUPAC Name2-(3-bromophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1c(O)n(-c2cccc(Br)c2)[nH]c1=O
InChIInChI=1S/C10H7BrN2O4/c11-5-2-1-3-6(4-5)13-9(15)7(10(16)17)8(14)12-13/h1-4,15H,(H,12,14)(H,16,17)
InChIKeyBYNIDSZXRWMVHZ-UHFFFAOYSA-N
XLogP1.33
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.08
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(3-bromophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-2-(4-methoxyphenyl)-5-oxo-1H-pyrazole-4-carboxylic acid
CID 137000087
2-(3-bromophenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
CID 75481580
1-(3-bromophenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide
CID 66522731
3-hydroxy-5-oxo-2-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid
CID 137000028
1-(3-bromophenyl)pyrrole-2-carboxylic acid
CID 43477066
2-(3-bromophenyl)-5-ethyl-1H-pyrazol-3-one
CID 66023133
2-(3-bromophenyl)-4-[[2-(3-bromophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methyl]-5-phenyl-1H-pyrazol-3-one
CID 19578495
1-(3-bromophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
CID 82124840
3-[3-hydroxy-2-(3-methoxyphenyl)-5-oxo-1H-pyrazol-4-yl]propanoic acid
CID 117123164
2-(3-bromophenyl)pyrazole-3-carboxylic acid
CID 83740815
4-[(5-bromoindol-3-ylidene)methyl]-3-hydroxy-2-phenyl-1H-pyrazol-5-one
CID 137147657
1-(3-bromophenyl)-4-oxopyrimidine-5-carboxylic acid
CID 115114488

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 2-(3-bromophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carboxylic acid (CID 137000062) is 2-(3-bromophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-bromophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 2-(3-bromophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carboxylic acid is O=C(O)c1c(O)n(-c2cccc(Br)c2)[nH]c1=O.
What is the InChIKey of 2-(3-bromophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carboxylic acid?
The InChIKey is BYNIDSZXRWMVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O4/c11-5-2-1-3-6(4-5)13-9(15)7(10(16)17)8(14)12-13/h1-4,15H,(H,12,14)(H,16,17).
What are the key properties of 2-(3-bromophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carboxylic acid?
2-(3-bromophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carboxylic acid has a molecular weight of 299.08 g/mol, XLogP of 1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 137000062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).