2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-hydroxyacetic acid

C12H11FN2O3 — CID 167367406

IUPAC2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-hydroxyacetic acid
SMILESCn1nc(C(O)C(=O)O)cc1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O3/c1-15-10(7-2-4-8(13)5-3-7)6-9(14-15)11(16)12(17)18/h2-6,11,16H,1H3,(H,17,18)
InChIKeyGAEQOGOWZPDFSW-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.34
Rot. Bonds3

About 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-hydroxyacetic acid

2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-hydroxyacetic acid (PubChem CID 167367406) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-hydroxyacetic acid
PubChem CID167367406
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-hydroxyacetic acid
SMILESCn1nc(C(O)C(=O)O)cc1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O3/c1-15-10(7-2-4-8(13)5-3-7)6-9(14-15)11(16)12(17)18/h2-6,11,16H,1H3,(H,17,18)
InChIKeyGAEQOGOWZPDFSW-UHFFFAOYSA-N
XLogP1.34
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-hydroxyacetic acid?
The IUPAC name of 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-hydroxyacetic acid (CID 167367406) is 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-hydroxyacetic acid is Cn1nc(C(O)C(=O)O)cc1-c1ccc(F)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-hydroxyacetic acid?
The InChIKey is GAEQOGOWZPDFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-15-10(7-2-4-8(13)5-3-7)6-9(14-15)11(16)12(17)18/h2-6,11,16H,1H3,(H,17,18).
What are the key properties of 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-hydroxyacetic acid?
2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-hydroxyacetic acid has a molecular weight of 250.23 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-hydroxyacetic acid is sourced from PubChem (CID 167367406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).