3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoic acid

C12H11FN2O4 — CID 170825346

IUPAC3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)C(O)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O4/c13-7-3-1-6(2-4-7)9-8(5-14-15-9)10(16)11(17)12(18)19/h1-5,10-11,16-17H,(H,14,15)(H,18,19)
InChIKeyPOTVHHZQJMWZIB-UHFFFAOYSA-N
MW266.23 g/mol
LogP0.69
Rot. Bonds4

About 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoic acid

3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoic acid (PubChem CID 170825346) has the molecular formula C12H11FN2O4 and a molecular weight of 266.23 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoic acid
PubChem CID170825346
Molecular FormulaC12H11FN2O4
Molecular Weight266.23 g/mol
Exact Mass266.07
IUPAC Name3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)C(O)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O4/c13-7-3-1-6(2-4-7)9-8(5-14-15-9)10(16)11(17)12(18)19/h1-5,10-11,16-17H,(H,14,15)(H,18,19)
InChIKeyPOTVHHZQJMWZIB-UHFFFAOYSA-N
XLogP0.69
TPSA106.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoic acid (CID 170825346) is 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoic acid is O=C(O)C(O)C(O)c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoic acid?
The InChIKey is POTVHHZQJMWZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4/c13-7-3-1-6(2-4-7)9-8(5-14-15-9)10(16)11(17)12(18)19/h1-5,10-11,16-17H,(H,14,15)(H,18,19).
What are the key properties of 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoic acid?
3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoic acid has a molecular weight of 266.23 g/mol, XLogP of 0.69, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 170825346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).