3-(3-bromo-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid

C10H6BrFN2O2 — CID 64592596

IUPAC3-(3-bromo-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)c(Br)c2)n[nH]1
InChIInChI=1S/C10H6BrFN2O2/c11-6-3-5(1-2-7(6)12)8-4-9(10(15)16)14-13-8/h1-4H,(H,13,14)(H,15,16)
InChIKeyHUSHQPNRMXVBEG-UHFFFAOYSA-N
MW285.07 g/mol
LogP2.68
Rot. Bonds2

About 3-(3-bromo-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid

3-(3-bromo-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 64592596) has the molecular formula C10H6BrFN2O2 and a molecular weight of 285.07 g/mol. Its IUPAC name is 3-(3-bromo-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-bromo-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID64592596
Molecular FormulaC10H6BrFN2O2
Molecular Weight285.07 g/mol
Exact Mass283.96
IUPAC Name3-(3-bromo-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)c(Br)c2)n[nH]1
InChIInChI=1S/C10H6BrFN2O2/c11-6-3-5(1-2-7(6)12)8-4-9(10(15)16)14-13-8/h1-4H,(H,13,14)(H,15,16)
InChIKeyHUSHQPNRMXVBEG-UHFFFAOYSA-N
XLogP2.68
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.07
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2H-benzotriazol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117329834
3-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole-5-carboxylic acid
CID 131955014
3-(4-cyclohexyl-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117465772
3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117400123
3-(4-bromo-2,3,5-trifluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 115111378
3-(3-bromophenyl)-1H-pyrazole-5-carboxylic acid;ethane
CID 143798874
3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117310670
5-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 62913159
3-(3-amino-4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 115111306
3-[3-(difluoromethyl)-4-methylphenyl]-1H-pyrazole-5-carboxylic acid
CID 117383202
3-(3,5-difluoro-4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117486912
3-[4-(2,2-difluoroethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117383204

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(3-bromo-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid (CID 64592596) is 3-(3-bromo-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-bromo-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(3-bromo-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(F)c(Br)c2)n[nH]1.
What is the InChIKey of 3-(3-bromo-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is HUSHQPNRMXVBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O2/c11-6-3-5(1-2-7(6)12)8-4-9(10(15)16)14-13-8/h1-4H,(H,13,14)(H,15,16).
What are the key properties of 3-(3-bromo-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
3-(3-bromo-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 285.07 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64592596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).