1-(3-fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid

C14H13FN2O3 — CID 82361451

IUPAC1-(3-fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cccc(F)c2)c1C1CCCO1
InChIInChI=1S/C14H13FN2O3/c15-9-3-1-4-10(7-9)17-13(12-5-2-6-20-12)11(8-16-17)14(18)19/h1,3-4,7-8,12H,2,5-6H2,(H,18,19)
InChIKeyWNYASMCSTNCCML-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.56
Rot. Bonds3

About 1-(3-fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid

1-(3-fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid (PubChem CID 82361451) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid
PubChem CID82361451
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name1-(3-fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cccc(F)c2)c1C1CCCO1
InChIInChI=1S/C14H13FN2O3/c15-9-3-1-4-10(7-9)17-13(12-5-2-6-20-12)11(8-16-17)14(18)19/h1,3-4,7-8,12H,2,5-6H2,(H,18,19)
InChIKeyWNYASMCSTNCCML-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-(4-methylphenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid
CID 82361466
5-cyclopropyl-1-[3-[3-(oxolan-2-yl)phenyl]phenyl]pyrazole-4-carboxylic acid
CID 126754536
1-(2,6-dimethylphenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid
CID 82361456
1-(2-methylphenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid
CID 82361459
[1-(3-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82197026
1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 24712301
5-cyclohexyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid
CID 82361438
1-(3-methylphenyl)-5-(oxolan-2-yl)triazole-4-carboxylic acid
CID 82201222
4-cyclopentyloxy-1-(3-fluorophenyl)pyrazole-5-carboxylic acid
CID 117232936
1-(3-cyanophenyl)-5-cyclopropylpyrazole-4-carboxylic acid
CID 43542935
N-cyclopentyl-1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936868
5-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid
CID 28606361

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(3-fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid (CID 82361451) is 1-(3-fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(3-fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2cccc(F)c2)c1C1CCCO1.
What is the InChIKey of 1-(3-fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid?
The InChIKey is WNYASMCSTNCCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c15-9-3-1-4-10(7-9)17-13(12-5-2-6-20-12)11(8-16-17)14(18)19/h1,3-4,7-8,12H,2,5-6H2,(H,18,19).
What are the key properties of 1-(3-fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid?
1-(3-fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-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-(3-fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 82361451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).