3-[1-(3-fluorophenyl)pyrazol-4-yl]-2,3-dihydroxypropanamide

C12H12FN3O3 — CID 171869552

IUPAC3-[1-(3-fluorophenyl)pyrazol-4-yl]-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cnn(-c2cccc(F)c2)c1
InChIInChI=1S/C12H12FN3O3/c13-8-2-1-3-9(4-8)16-6-7(5-15-16)10(17)11(18)12(14)19/h1-6,10-11,17-18H,(H2,14,19)
InChIKeyFSNJGOGPSARCPW-UHFFFAOYSA-N
MW265.24 g/mol
LogP-0.11
Rot. Bonds4

About 3-[1-(3-fluorophenyl)pyrazol-4-yl]-2,3-dihydroxypropanamide

3-[1-(3-fluorophenyl)pyrazol-4-yl]-2,3-dihydroxypropanamide (PubChem CID 171869552) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)pyrazol-4-yl]-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)pyrazol-4-yl]-2,3-dihydroxypropanamide
PubChem CID171869552
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Name3-[1-(3-fluorophenyl)pyrazol-4-yl]-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cnn(-c2cccc(F)c2)c1
InChIInChI=1S/C12H12FN3O3/c13-8-2-1-3-9(4-8)16-6-7(5-15-16)10(17)11(18)12(14)19/h1-6,10-11,17-18H,(H2,14,19)
InChIKeyFSNJGOGPSARCPW-UHFFFAOYSA-N
XLogP-0.11
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-1-[1-(3-fluorophenyl)pyrazol-4-yl]propane-1,2-diol
CID 171861355
(3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088951
tert-butyl N-[3-[1-(3-fluorophenyl)pyrazol-4-yl]-2,3-dihydroxypropyl]carbamate
CID 170833490
(2R)-2-[1-(3-fluorophenyl)pyrazol-4-yl]propanenitrile
CID 154721550
[1-(3-fluorophenyl)pyrazol-4-yl] hydrogen carbonate
CID 117230392
2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 79367084
2-[1-(3-bromophenyl)pyrazol-4-yl]-3,3-difluoro-4-hydroxybutanamide
CID 71008947
2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
CID 82282985
ethyl 2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoate
CID 79367477
3-(4-fluoropyrazol-1-yl)benzoic acid
CID 135296191
3-(4-propan-2-ylpyrazol-1-yl)benzoic acid
CID 84793615
2-amino-1-[1-(3-methylphenyl)pyrazol-4-yl]ethanol
CID 83887534

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)pyrazol-4-yl]-2,3-dihydroxypropanamide?
The IUPAC name of 3-[1-(3-fluorophenyl)pyrazol-4-yl]-2,3-dihydroxypropanamide (CID 171869552) is 3-[1-(3-fluorophenyl)pyrazol-4-yl]-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-[1-(3-fluorophenyl)pyrazol-4-yl]-2,3-dihydroxypropanamide?
The canonical SMILES for 3-[1-(3-fluorophenyl)pyrazol-4-yl]-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1cnn(-c2cccc(F)c2)c1.
What is the InChIKey of 3-[1-(3-fluorophenyl)pyrazol-4-yl]-2,3-dihydroxypropanamide?
The InChIKey is FSNJGOGPSARCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c13-8-2-1-3-9(4-8)16-6-7(5-15-16)10(17)11(18)12(14)19/h1-6,10-11,17-18H,(H2,14,19).
What are the key properties of 3-[1-(3-fluorophenyl)pyrazol-4-yl]-2,3-dihydroxypropanamide?
3-[1-(3-fluorophenyl)pyrazol-4-yl]-2,3-dihydroxypropanamide has a molecular weight of 265.24 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)pyrazol-4-yl]-2,3-dihydroxypropanamide is sourced from PubChem (CID 171869552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).