3-(2-fluorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid

C10H7FN2O3 — CID 84687356

IUPAC3-(2-fluorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2F)[nH][nH]c1=O
InChIInChI=1S/C10H7FN2O3/c11-6-4-2-1-3-5(6)8-7(10(15)16)9(14)13-12-8/h1-4H,(H,15,16)(H2,12,13,14)
InChIKeyHWIQFWPAVZWDGP-UHFFFAOYSA-N
MW222.18 g/mol
LogP1.21
Rot. Bonds2

About 3-(2-fluorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid

3-(2-fluorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid (PubChem CID 84687356) has the molecular formula C10H7FN2O3 and a molecular weight of 222.18 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
PubChem CID84687356
Molecular FormulaC10H7FN2O3
Molecular Weight222.18 g/mol
Exact Mass222.04
IUPAC Name3-(2-fluorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2F)[nH][nH]c1=O
InChIInChI=1S/C10H7FN2O3/c11-6-4-2-1-3-5(6)8-7(10(15)16)9(14)13-12-8/h1-4H,(H,15,16)(H2,12,13,14)
InChIKeyHWIQFWPAVZWDGP-UHFFFAOYSA-N
XLogP1.21
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-difluorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
CID 82477251
2-amino-4-(2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169404968
2,6-difluoro-4-(2-fluorophenyl)benzoic acid
CID 46312128
3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 83646245
3-(3-chlorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
CID 84700819
4-(2-fluorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid
CID 117225051
3-(4,5-dimethoxy-2-methylphenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
CID 98021533
2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid
CID 46313699
1-[3-acetyl-2-(2-fluorophenyl)azulen-1-yl]ethanone
CID 157391831
6-(2-hydroxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid
CID 102109161
1-[2-(2-fluorophenyl)-1H-indol-3-yl]ethanone
CID 13381171
2-(2-fluorophenyl)cyclopentene-1-carboxylic acid
CID 130861385

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid?
The IUPAC name of 3-(2-fluorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid (CID 84687356) is 3-(2-fluorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid?
The canonical SMILES for 3-(2-fluorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid is O=C(O)c1c(-c2ccccc2F)[nH][nH]c1=O.
What is the InChIKey of 3-(2-fluorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid?
The InChIKey is HWIQFWPAVZWDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3/c11-6-4-2-1-3-5(6)8-7(10(15)16)9(14)13-12-8/h1-4H,(H,15,16)(H2,12,13,14).
What are the key properties of 3-(2-fluorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid?
3-(2-fluorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid has a molecular weight of 222.18 g/mol, XLogP of 1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid is sourced from PubChem (CID 84687356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).