1-(2-bromophenyl)-4-hydroxypyrazole-3-carboxylic acid

C10H7BrN2O3 — CID 43133856

IUPAC1-(2-bromophenyl)-4-hydroxypyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccccc2Br)cc1O
InChIInChI=1S/C10H7BrN2O3/c11-6-3-1-2-4-7(6)13-5-8(14)9(12-13)10(15)16/h1-5,14H,(H,15,16)
InChIKeyUJIJJVYYPQRLHJ-UHFFFAOYSA-N
MW283.08 g/mol
LogP2.04
Rot. Bonds2

About 1-(2-bromophenyl)-4-hydroxypyrazole-3-carboxylic acid

1-(2-bromophenyl)-4-hydroxypyrazole-3-carboxylic acid (PubChem CID 43133856) has the molecular formula C10H7BrN2O3 and a molecular weight of 283.08 g/mol. Its IUPAC name is 1-(2-bromophenyl)-4-hydroxypyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-bromophenyl)-4-hydroxypyrazole-3-carboxylic acid
PubChem CID43133856
Molecular FormulaC10H7BrN2O3
Molecular Weight283.08 g/mol
Exact Mass281.96
IUPAC Name1-(2-bromophenyl)-4-hydroxypyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccccc2Br)cc1O
InChIInChI=1S/C10H7BrN2O3/c11-6-3-1-2-4-7(6)13-5-8(14)9(12-13)10(15)16/h1-5,14H,(H,15,16)
InChIKeyUJIJJVYYPQRLHJ-UHFFFAOYSA-N
XLogP2.04
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-fluorophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 43555963
4-bromo-1-(2-nitrophenyl)pyrazole-3-carboxylic acid
CID 116818684
1-(2,4-difluorophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 43133814
[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone
CID 118741514
CID 54725649
CID 54725649
4-bromo-1-(2-bromophenyl)-5-tert-butylpyrazole-3-carboxylic acid
CID 62875133
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carboxylic acid
CID 43542847
4-hydroxy-1-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid
CID 66477568
[1-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-phenylmethanone
CID 26080815
methyl 1-(2-bromophenyl)-4-oxopyridazine-3-carboxylate
CID 63952034
1-(3-bromo-2-fluorophenyl)-5-methoxy-4-oxopyridazine-3-carboxylic acid
CID 59436190
1-(2-bromophenyl)-5-phenyl-1,2,4-triazole-3-carboxylic acid
CID 29060309

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-4-hydroxypyrazole-3-carboxylic acid?
The IUPAC name of 1-(2-bromophenyl)-4-hydroxypyrazole-3-carboxylic acid (CID 43133856) is 1-(2-bromophenyl)-4-hydroxypyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2-bromophenyl)-4-hydroxypyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2-bromophenyl)-4-hydroxypyrazole-3-carboxylic acid is O=C(O)c1nn(-c2ccccc2Br)cc1O.
What is the InChIKey of 1-(2-bromophenyl)-4-hydroxypyrazole-3-carboxylic acid?
The InChIKey is UJIJJVYYPQRLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O3/c11-6-3-1-2-4-7(6)13-5-8(14)9(12-13)10(15)16/h1-5,14H,(H,15,16).
What are the key properties of 1-(2-bromophenyl)-4-hydroxypyrazole-3-carboxylic acid?
1-(2-bromophenyl)-4-hydroxypyrazole-3-carboxylic acid has a molecular weight of 283.08 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-4-hydroxypyrazole-3-carboxylic acid is sourced from PubChem (CID 43133856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).