2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid

C12H11FN2O3 — CID 79367084

IUPAC2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid
SMILESO=C(O)C(F)C(O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H11FN2O3/c13-10(12(17)18)11(16)8-6-14-15(7-8)9-4-2-1-3-5-9/h1-7,10-11,16H,(H,17,18)
InChIKeyGZJXBJSCZUSRGL-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.33
Rot. Bonds4

About 2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid

2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid (PubChem CID 79367084) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid
PubChem CID79367084
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid
SMILESO=C(O)C(F)C(O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H11FN2O3/c13-10(12(17)18)11(16)8-6-14-15(7-8)9-4-2-1-3-5-9/h1-7,10-11,16H,(H,17,18)
InChIKeyGZJXBJSCZUSRGL-UHFFFAOYSA-N
XLogP1.33
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoate
CID 79367477
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
2,2-difluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 62398863
(Z)-3-fluoro-3-(1-phenylpyrazol-4-yl)prop-1-en-1-ol
CID 174462820
2-(3-hydroxybutan-2-yloxy)-2-(1-phenylpyrazol-4-yl)acetic acid
CID 103377817
(3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088951
2-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 60998462
2-(cyclopropylamino)-2-(1-phenylpyrazol-4-yl)acetic acid
CID 43754555
5-[hydroxy-(1-phenylpyrazol-4-yl)methyl]furan-2-carboxylic acid
CID 106945907
(3S)-3-acetamido-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 63650204
2-chloro-N,N-dimethyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 62225528
2-[hydroxy-(1-phenylpyrazol-4-yl)methyl]pentanenitrile
CID 79412762

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid?
The IUPAC name of 2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid (CID 79367084) is 2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid is O=C(O)C(F)C(O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid?
The InChIKey is GZJXBJSCZUSRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c13-10(12(17)18)11(16)8-6-14-15(7-8)9-4-2-1-3-5-9/h1-7,10-11,16H,(H,17,18).
What are the key properties of 2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid?
2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid has a molecular weight of 250.23 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 79367084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).