1-(2-fluorophenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid

C14H13FN2O3 — CID 82361990

IUPAC1-(2-fluorophenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(C2CCCO2)n(-c2ccccc2F)n1
InChIInChI=1S/C14H13FN2O3/c15-9-4-1-2-5-11(9)17-12(13-6-3-7-20-13)8-10(16-17)14(18)19/h1-2,4-5,8,13H,3,6-7H2,(H,18,19)
InChIKeyMOLAHWSEGYBRIN-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.56
Rot. Bonds3

About 1-(2-fluorophenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid

1-(2-fluorophenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid (PubChem CID 82361990) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid
PubChem CID82361990
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name1-(2-fluorophenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(C2CCCO2)n(-c2ccccc2F)n1
InChIInChI=1S/C14H13FN2O3/c15-9-4-1-2-5-11(9)17-12(13-6-3-7-20-13)8-10(16-17)14(18)19/h1-2,4-5,8,13H,3,6-7H2,(H,18,19)
InChIKeyMOLAHWSEGYBRIN-UHFFFAOYSA-N
XLogP2.56
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethylphenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid
CID 82361985
1-(2-fluorophenyl)-5-propan-2-ylpyrazole-3-carboxylic acid
CID 60725596
1-(2-fluorophenyl)-5-[(2S)-oxolan-2-yl]-3-(2-phenylethyl)-1,2,4-triazole
CID 95140897
[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl]-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]methanone
CID 167743293
1-[1-(2-fluorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxamide
CID 110676727
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40572583
4-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 119239139
2-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 46003806
5-cyclopropyl-1-(2-ethoxyphenyl)pyrazole-3-carboxylic acid
CID 82361939
[5-amino-1-(2-fluorophenyl)pyrazol-3-yl]-(azepan-1-yl)methanone
CID 82188870
2-[(2R)-4-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
CID 124705063
4-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-2-carboxamide
CID 49417558

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(2-fluorophenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid (CID 82361990) is 1-(2-fluorophenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2-fluorophenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2-fluorophenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid is O=C(O)c1cc(C2CCCO2)n(-c2ccccc2F)n1.
What is the InChIKey of 1-(2-fluorophenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid?
The InChIKey is MOLAHWSEGYBRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c15-9-4-1-2-5-11(9)17-12(13-6-3-7-20-13)8-10(16-17)14(18)19/h1-2,4-5,8,13H,3,6-7H2,(H,18,19).
What are the key properties of 1-(2-fluorophenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid?
1-(2-fluorophenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid has a molecular weight of 276.27 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 82361990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).