2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxylic acid

C14H13FN2O3 — CID 122360336

IUPAC2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxylic acid
SMILESO=C(O)C1CCOC1c1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O3/c15-9-1-3-10(4-2-9)17-12(5-7-16-17)13-11(14(18)19)6-8-20-13/h1-5,7,11,13H,6,8H2,(H,18,19)
InChIKeyPTBSLZXOEYOSSN-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.17
Rot. Bonds3

About 2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxylic acid

2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxylic acid (PubChem CID 122360336) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxylic acid
PubChem CID122360336
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxylic acid
SMILESO=C(O)C1CCOC1c1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O3/c15-9-1-3-10(4-2-9)17-12(5-7-16-17)13-11(14(18)19)6-8-20-13/h1-5,7,11,13H,6,8H2,(H,18,19)
InChIKeyPTBSLZXOEYOSSN-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-(2-fluorophenyl)-1H-pyrazol-4-yl)oxolane-3-carboxylic acid
CID 122360333
rac-(2R,3R)-2-(1-benzyl-1H-pyrazol-5-yl)oxolane-3-carboxylic acid
CID 124709996
rac-(2R,3R)-2-[1-(2-methoxyphenyl)-1H-pyrazol-5-yl]oxolane-3-carboxylic acid
CID 125528761
rac-(2R,3R)-2-(1-(4-fluorophenyl)-1H-pyrazol-5-yl)oxolane-3-carboxylic acid
CID 125528789
(2S,3S)-2-[1-(2-methylphenyl)-1H-pyrazol-5-yl]oxolane-3-carboxylic acid
CID 91662778
1-(2-Fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid
CID 82361449
1-(4-Fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid
CID 82361450
1-(3-Fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid
CID 82361451
(2S,3S)-2-[1-(4-fluorophenyl)-1H-pyrazol-5-yl]oxolane-3-carboxylic acid
CID 91662779
(2S,3S)-2-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]oxolane-3-carboxylic acid
CID 99965041
(2S,3S)-N-(2,3-difluorophenyl)-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide
CID 122146628
(2R,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxylic acid
CID 125528790

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxylic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxylic acid (CID 122360336) is 2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxylic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxylic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxylic acid is O=C(O)C1CCOC1c1ccnn1-c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxylic acid?
The InChIKey is PTBSLZXOEYOSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c15-9-1-3-10(4-2-9)17-12(5-7-16-17)13-11(14(18)19)6-8-20-13/h1-5,7,11,13H,6,8H2,(H,18,19).
What are the key properties of 2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxylic acid?
2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxylic acid has a molecular weight of 276.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxylic acid is sourced from PubChem (CID 122360336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).