(2S)-2-[4-(4-fluorophenyl)pyrazol-1-yl]propanoic acid

C12H11FN2O2 — CID 97034160

IUPAC(2S)-2-[4-(4-fluorophenyl)pyrazol-1-yl]propanoic acid
SMILESC[C@@H](C(=O)O)n1cc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C12H11FN2O2/c1-8(12(16)17)15-7-10(6-14-15)9-2-4-11(13)5-3-9/h2-8H,1H3,(H,16,17)/t8-/m0/s1
InChIKeyCEFDBSRQVGMRDB-QMMMGPOBSA-N
MW234.23 g/mol
LogP2.33
Rot. Bonds3

About (2S)-2-[4-(4-fluorophenyl)pyrazol-1-yl]propanoic acid

(2S)-2-[4-(4-fluorophenyl)pyrazol-1-yl]propanoic acid (PubChem CID 97034160) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is (2S)-2-[4-(4-fluorophenyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[4-(4-fluorophenyl)pyrazol-1-yl]propanoic acid
PubChem CID97034160
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name(2S)-2-[4-(4-fluorophenyl)pyrazol-1-yl]propanoic acid
SMILESC[C@@H](C(=O)O)n1cc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C12H11FN2O2/c1-8(12(16)17)15-7-10(6-14-15)9-2-4-11(13)5-3-9/h2-8H,1H3,(H,16,17)/t8-/m0/s1
InChIKeyCEFDBSRQVGMRDB-QMMMGPOBSA-N
XLogP2.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-(3-fluorophenyl)pyrazol-1-yl]propanoic acid
CID 97034163
2-[4-(2-fluorophenyl)pyrazol-1-yl]propanoic acid
CID 102547350
(2S)-2-[4-(3-chlorophenyl)pyrazol-1-yl]propanoic acid
CID 97034148
(2S)-2-(4-chloropyrazol-1-yl)propanoic acid
CID 7026118
2-(4-carbamoylpyrazol-1-yl)propanoic acid
CID 19623315
3-methyl-2-(4-phenylpyrazol-1-yl)butanoic acid
CID 62771313
(2R)-N-(4-methylphenyl)-2-(4-phenylpyrazol-1-yl)propanamide
CID 124938415
(2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide
CID 100830723
(2S)-2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]propanoic acid
CID 125435430
2-[4-[(2,6-dibromo-4-fluorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502914
N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluorophenyl)pyrazol-1-yl]pentanamide
CID 91069507
1-[1-[(1S)-1-(4-fluorophenyl)ethyl]pyrazol-4-yl]ethanone
CID 170757720

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(4-fluorophenyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of (2S)-2-[4-(4-fluorophenyl)pyrazol-1-yl]propanoic acid (CID 97034160) is (2S)-2-[4-(4-fluorophenyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[4-(4-fluorophenyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for (2S)-2-[4-(4-fluorophenyl)pyrazol-1-yl]propanoic acid is C[C@@H](C(=O)O)n1cc(-c2ccc(F)cc2)cn1.
What is the InChIKey of (2S)-2-[4-(4-fluorophenyl)pyrazol-1-yl]propanoic acid?
The InChIKey is CEFDBSRQVGMRDB-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-8(12(16)17)15-7-10(6-14-15)9-2-4-11(13)5-3-9/h2-8H,1H3,(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-[4-(4-fluorophenyl)pyrazol-1-yl]propanoic acid?
(2S)-2-[4-(4-fluorophenyl)pyrazol-1-yl]propanoic acid has a molecular weight of 234.23 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(4-fluorophenyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 97034160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).