2-[5-(5-bromo-2-fluorophenyl)-1,4-dimethylpyrazol-3-yl]acetic acid

C13H12BrFN2O2 — CID 84607458

IUPAC2-[5-(5-bromo-2-fluorophenyl)-1,4-dimethylpyrazol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)nn(C)c1-c1cc(Br)ccc1F
InChIInChI=1S/C13H12BrFN2O2/c1-7-11(6-12(18)19)16-17(2)13(7)9-5-8(14)3-4-10(9)15/h3-5H,6H2,1-2H3,(H,18,19)
InChIKeyXNUYMEULGKLOEZ-UHFFFAOYSA-N
MW327.15 g/mol
LogP2.92
Rot. Bonds3

About 2-[5-(5-bromo-2-fluorophenyl)-1,4-dimethylpyrazol-3-yl]acetic acid

2-[5-(5-bromo-2-fluorophenyl)-1,4-dimethylpyrazol-3-yl]acetic acid (PubChem CID 84607458) has the molecular formula C13H12BrFN2O2 and a molecular weight of 327.15 g/mol. Its IUPAC name is 2-[5-(5-bromo-2-fluorophenyl)-1,4-dimethylpyrazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(5-bromo-2-fluorophenyl)-1,4-dimethylpyrazol-3-yl]acetic acid
PubChem CID84607458
Molecular FormulaC13H12BrFN2O2
Molecular Weight327.15 g/mol
Exact Mass326.01
IUPAC Name2-[5-(5-bromo-2-fluorophenyl)-1,4-dimethylpyrazol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)nn(C)c1-c1cc(Br)ccc1F
InChIInChI=1S/C13H12BrFN2O2/c1-7-11(6-12(18)19)16-17(2)13(7)9-5-8(14)3-4-10(9)15/h3-5H,6H2,1-2H3,(H,18,19)
InChIKeyXNUYMEULGKLOEZ-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.15
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-(5-bromo-2-fluorophenyl)-1,4-dimethylpyrazol-3-yl]acetic 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

2-[4-(5-bromo-2-methylphenyl)-1,5-dimethylpyrazol-3-yl]acetic acid
CID 84605488
ethyl 5-(5-bromo-2-fluorophenyl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 55182559
2-[1-(4-bromo-2-fluorophenyl)-5-methyltriazol-4-yl]acetic acid
CID 43671475
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]acetic acid
CID 82969419
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(5-bromo-2-fluorophenyl)ethanone
CID 114894290
1-(5-bromo-2-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 114894285
3-(5-bromo-2-fluorophenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 43670812
2-[4-bromo-5-(5-chloro-2-fluorophenyl)-1-methylpyrazol-3-yl]ethanamine
CID 84609485
3-(5-bromo-2-fluorophenyl)-2-methylbenzoic acid
CID 79743232
5-(2-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylic acid
CID 105494099
2-(1,5-dimethylfuro[3,2-c]pyrazol-3-yl)acetic acid
CID 96623386
2-[4-bromo-5-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-3-yl]acetic acid
CID 84610283

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-bromo-2-fluorophenyl)-1,4-dimethylpyrazol-3-yl]acetic acid?
The IUPAC name of 2-[5-(5-bromo-2-fluorophenyl)-1,4-dimethylpyrazol-3-yl]acetic acid (CID 84607458) is 2-[5-(5-bromo-2-fluorophenyl)-1,4-dimethylpyrazol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(5-bromo-2-fluorophenyl)-1,4-dimethylpyrazol-3-yl]acetic acid?
The canonical SMILES for 2-[5-(5-bromo-2-fluorophenyl)-1,4-dimethylpyrazol-3-yl]acetic acid is Cc1c(CC(=O)O)nn(C)c1-c1cc(Br)ccc1F.
What is the InChIKey of 2-[5-(5-bromo-2-fluorophenyl)-1,4-dimethylpyrazol-3-yl]acetic acid?
The InChIKey is XNUYMEULGKLOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2/c1-7-11(6-12(18)19)16-17(2)13(7)9-5-8(14)3-4-10(9)15/h3-5H,6H2,1-2H3,(H,18,19).
What are the key properties of 2-[5-(5-bromo-2-fluorophenyl)-1,4-dimethylpyrazol-3-yl]acetic acid?
2-[5-(5-bromo-2-fluorophenyl)-1,4-dimethylpyrazol-3-yl]acetic acid has a molecular weight of 327.15 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-bromo-2-fluorophenyl)-1,4-dimethylpyrazol-3-yl]acetic acid is sourced from PubChem (CID 84607458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).