3-(5-bromo-3-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid

C10H6BrFN2O3 — CID 136966410

IUPAC3-(5-bromo-3-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Br)cc(F)c2O)n[nH]1
InChIInChI=1S/C10H6BrFN2O3/c11-4-1-5(9(15)6(12)2-4)7-3-8(10(16)17)14-13-7/h1-3,15H,(H,13,14)(H,16,17)
InChIKeyBEROPRJJUKLEQG-UHFFFAOYSA-N
MW301.07 g/mol
LogP2.38
Rot. Bonds2

About 3-(5-bromo-3-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid

3-(5-bromo-3-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 136966410) has the molecular formula C10H6BrFN2O3 and a molecular weight of 301.07 g/mol. Its IUPAC name is 3-(5-bromo-3-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-bromo-3-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID136966410
Molecular FormulaC10H6BrFN2O3
Molecular Weight301.07 g/mol
Exact Mass299.95
IUPAC Name3-(5-bromo-3-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Br)cc(F)c2O)n[nH]1
InChIInChI=1S/C10H6BrFN2O3/c11-4-1-5(9(15)6(12)2-4)7-3-8(10(16)17)14-13-7/h1-3,15H,(H,13,14)(H,16,17)
InChIKeyBEROPRJJUKLEQG-UHFFFAOYSA-N
XLogP2.38
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.07
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(5-bromo-3-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-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-(3-chloro-5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 136991076
3-(4-bromo-2,3,5-trifluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 115111378
3-(6-bromo-2-fluoro-3,4-dihydroxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 136995060
3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117400123
3-(2-carboxy-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117378288
3-(3,5-difluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 136992111
3-(5-fluoro-2-hydroxy-4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 136966393
3-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 137013113
3-(3-bromo-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 64592596
3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 64592198
3-(4-carboxy-2,3-difluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117423812
3-(2-chloro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 137017195

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(5-bromo-3-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid (CID 136966410) is 3-(5-bromo-3-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-bromo-3-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(5-bromo-3-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2cc(Br)cc(F)c2O)n[nH]1.
What is the InChIKey of 3-(5-bromo-3-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is BEROPRJJUKLEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O3/c11-4-1-5(9(15)6(12)2-4)7-3-8(10(16)17)14-13-7/h1-3,15H,(H,13,14)(H,16,17).
What are the key properties of 3-(5-bromo-3-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
3-(5-bromo-3-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 301.07 g/mol, XLogP of 2.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 136966410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).