2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid

C10H7FN2O3 — CID 66855872

IUPAC2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(=O)n(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C10H7FN2O3/c11-6-2-1-3-7(4-6)13-9(14)5-8(12-13)10(15)16/h1-5,12H,(H,15,16)
InChIKeyRLSAPYCPFIJVCZ-UHFFFAOYSA-N
MW222.18 g/mol
LogP1.00
Rot. Bonds2

About 2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid

2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid (PubChem CID 66855872) has the molecular formula C10H7FN2O3 and a molecular weight of 222.18 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
PubChem CID66855872
Molecular FormulaC10H7FN2O3
Molecular Weight222.18 g/mol
Exact Mass222.04
IUPAC Name2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(=O)n(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C10H7FN2O3/c11-6-2-1-3-7(4-6)13-9(14)5-8(12-13)10(15)16/h1-5,12H,(H,15,16)
InChIKeyRLSAPYCPFIJVCZ-UHFFFAOYSA-N
XLogP1.00
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenyl-5-trifluoromethyl-2H-pyrazol-3-ol
CID 892717
1-(4-chlorophenyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid
CID 17609321
(2Z)-4-(4-Fluoroanilino)-4-oxobut-2-enoic acid
CID 1551046
5-Hydroxy-1-(3-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxylic acid
CID 83557584
(E)-4-(2,5-difluoroanilino)-4-oxobut-2-enoic acid
CID 5940138
4-Oxo-4-(2,3,4-trifluoroanilino)but-2-enoic acid
CID 5702484
(Z)-4-(2-fluoroanilino)-4-oxobut-2-enoic acid
CID 1581622
5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylic acid
CID 9167391
4-((4-Fluorophenyl)amino)-4-oxo-2-butenoic acid
CID 245095
4'-Fluoromaleanilic acid
CID 686484
1-(4-Bromophenyl)-5-hydroxy-1H-pyrazole-3-carboxylic acid
CID 83558505
1-(3-Bromophenyl)-5-hydroxy-1H-pyrazole-3-carboxylic acid
CID 83558507

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid (CID 66855872) is 2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(=O)n(-c2cccc(F)c2)[nH]1.
What is the InChIKey of 2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid?
The InChIKey is RLSAPYCPFIJVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3/c11-6-2-1-3-7(4-6)13-9(14)5-8(12-13)10(15)16/h1-5,12H,(H,15,16).
What are the key properties of 2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid?
2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid has a molecular weight of 222.18 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 66855872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).