3-[1-(3,4-difluorophenyl)pyrazol-3-yl]propanoic acid

C12H10F2N2O2 — CID 116818186

IUPAC3-[1-(3,4-difluorophenyl)pyrazol-3-yl]propanoic acid
SMILESO=C(O)CCc1ccn(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H10F2N2O2/c13-10-3-2-9(7-11(10)14)16-6-5-8(15-16)1-4-12(17)18/h2-3,5-7H,1,4H2,(H,17,18)
InChIKeyZGDJQNKPFZTAST-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.17
Rot. Bonds4

About 3-[1-(3,4-difluorophenyl)pyrazol-3-yl]propanoic acid

3-[1-(3,4-difluorophenyl)pyrazol-3-yl]propanoic acid (PubChem CID 116818186) has the molecular formula C12H10F2N2O2 and a molecular weight of 252.22 g/mol. Its IUPAC name is 3-[1-(3,4-difluorophenyl)pyrazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3,4-difluorophenyl)pyrazol-3-yl]propanoic acid
PubChem CID116818186
Molecular FormulaC12H10F2N2O2
Molecular Weight252.22 g/mol
Exact Mass252.07
IUPAC Name3-[1-(3,4-difluorophenyl)pyrazol-3-yl]propanoic acid
SMILESO=C(O)CCc1ccn(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H10F2N2O2/c13-10-3-2-9(7-11(10)14)16-6-5-8(15-16)1-4-12(17)18/h2-3,5-7H,1,4H2,(H,17,18)
InChIKeyZGDJQNKPFZTAST-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(3,4-difluorophenyl)pyrazol-3-yl]propanoic 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-[1-(3,4-dimethylphenyl)pyrazol-3-yl]propanoic acid
CID 116818163
1-(3,4-difluorophenyl)-4-oxopyridazine-3-carboxylic acid
CID 51042763
1-[4-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxymethyl]piperazin-1-yl]ethanone;propanedioic acid
CID 126649692
3-[1-(3-bromo-4-fluorophenyl)triazol-4-yl]propanoic acid
CID 107460544
3-[1-(difluoromethyl)pyrazol-3-yl]propanoic acid
CID 175976138
(E)-but-2-enedioic acid;1-[4-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxymethyl]piperazin-1-yl]ethanone
CID 126649656
1-[4-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]piperazin-1-yl]ethanone;ethane
CID 142375217
2-[1-(3-fluorophenyl)pyrazol-3-yl]ethanol
CID 116818219
N-[(E)-3-cyclopropyl-1-(methylamino)prop-1-enyl]-2-[1-(3,4-difluorophenyl)pyrazol-3-yl]acetamide
CID 177025891
3-[1-(deuteriomethyl)pyrazol-3-yl]propanoic acid
CID 175976153
3-[5-(3,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 54929197
3-[5-(3,4-difluorobenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 56906037

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-difluorophenyl)pyrazol-3-yl]propanoic acid?
The IUPAC name of 3-[1-(3,4-difluorophenyl)pyrazol-3-yl]propanoic acid (CID 116818186) is 3-[1-(3,4-difluorophenyl)pyrazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3,4-difluorophenyl)pyrazol-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(3,4-difluorophenyl)pyrazol-3-yl]propanoic acid is O=C(O)CCc1ccn(-c2ccc(F)c(F)c2)n1.
What is the InChIKey of 3-[1-(3,4-difluorophenyl)pyrazol-3-yl]propanoic acid?
The InChIKey is ZGDJQNKPFZTAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2/c13-10-3-2-9(7-11(10)14)16-6-5-8(15-16)1-4-12(17)18/h2-3,5-7H,1,4H2,(H,17,18).
What are the key properties of 3-[1-(3,4-difluorophenyl)pyrazol-3-yl]propanoic acid?
3-[1-(3,4-difluorophenyl)pyrazol-3-yl]propanoic acid has a molecular weight of 252.22 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-difluorophenyl)pyrazol-3-yl]propanoic acid is sourced from PubChem (CID 116818186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).