3-[1-(difluoromethyl)pyrazol-3-yl]propanoic acid

C7H8F2N2O2 — CID 175976138

IUPAC3-[1-(difluoromethyl)pyrazol-3-yl]propanoic acid
SMILESO=C(O)CCc1ccn(C(F)F)n1
InChIInChI=1S/C7H8F2N2O2/c8-7(9)11-4-3-5(10-11)1-2-6(12)13/h3-4,7H,1-2H2,(H,12,13)
InChIKeyNZUWUXSRYISOFS-UHFFFAOYSA-N
MW190.15 g/mol
LogP1.30
Rot. Bonds4

About 3-[1-(difluoromethyl)pyrazol-3-yl]propanoic acid

3-[1-(difluoromethyl)pyrazol-3-yl]propanoic acid (PubChem CID 175976138) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 3-[1-(difluoromethyl)pyrazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(difluoromethyl)pyrazol-3-yl]propanoic acid
PubChem CID175976138
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name3-[1-(difluoromethyl)pyrazol-3-yl]propanoic acid
SMILESO=C(O)CCc1ccn(C(F)F)n1
InChIInChI=1S/C7H8F2N2O2/c8-7(9)11-4-3-5(10-11)1-2-6(12)13/h3-4,7H,1-2H2,(H,12,13)
InChIKeyNZUWUXSRYISOFS-UHFFFAOYSA-N
XLogP1.30
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(deuteriomethyl)pyrazol-3-yl]propanoic acid
CID 175976153
3-(1-ethylpyrazol-3-yl)propanoic acid;methanamine
CID 144584790
3-[1-(3,4-difluorophenyl)pyrazol-3-yl]propanoic acid
CID 116818186
2-chloro-N-[[1-(difluoromethyl)pyrazol-3-yl]methyl]acetamide
CID 166429258
3-[1-(3,4-dimethylphenyl)pyrazol-3-yl]propanoic acid
CID 116818163
3-[5-(difluoromethyl)-2-pyridinyl]propanoic acid
CID 162738245
1-cyclopropyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-one
CID 64773472
2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid
CID 81009367
3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid
CID 22717208
1-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-3-one
CID 64783810
3-[1-(2,2-difluoroethyl)triazol-4-yl]propanoic acid
CID 107460735
5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 104630849

Frequently Asked Questions

What is the IUPAC name of 3-[1-(difluoromethyl)pyrazol-3-yl]propanoic acid?
The IUPAC name of 3-[1-(difluoromethyl)pyrazol-3-yl]propanoic acid (CID 175976138) is 3-[1-(difluoromethyl)pyrazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(difluoromethyl)pyrazol-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(difluoromethyl)pyrazol-3-yl]propanoic acid is O=C(O)CCc1ccn(C(F)F)n1.
What is the InChIKey of 3-[1-(difluoromethyl)pyrazol-3-yl]propanoic acid?
The InChIKey is NZUWUXSRYISOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c8-7(9)11-4-3-5(10-11)1-2-6(12)13/h3-4,7H,1-2H2,(H,12,13).
What are the key properties of 3-[1-(difluoromethyl)pyrazol-3-yl]propanoic acid?
3-[1-(difluoromethyl)pyrazol-3-yl]propanoic acid has a molecular weight of 190.15 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(difluoromethyl)pyrazol-3-yl]propanoic acid is sourced from PubChem (CID 175976138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).