1-(1,3-benzodioxol-5-yl)-5-(2-fluorophenyl)pyrazole

C16H11FN2O2 — CID 141141771

IUPAC1-(1,3-benzodioxol-5-yl)-5-(2-fluorophenyl)pyrazole
SMILESFc1ccccc1-c1ccnn1-c1ccc2c(c1)OCO2
InChIInChI=1S/C16H11FN2O2/c17-13-4-2-1-3-12(13)14-7-8-18-19(14)11-5-6-15-16(9-11)21-10-20-15/h1-9H,10H2
InChIKeyFKALUBJBRUMKRV-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.41
Rot. Bonds2

About 1-(1,3-benzodioxol-5-yl)-5-(2-fluorophenyl)pyrazole

1-(1,3-benzodioxol-5-yl)-5-(2-fluorophenyl)pyrazole (PubChem CID 141141771) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-5-(2-fluorophenyl)pyrazole.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-5-(2-fluorophenyl)pyrazole
PubChem CID141141771
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC Name1-(1,3-benzodioxol-5-yl)-5-(2-fluorophenyl)pyrazole
SMILESFc1ccccc1-c1ccnn1-c1ccc2c(c1)OCO2
InChIInChI=1S/C16H11FN2O2/c17-13-4-2-1-3-12(13)14-7-8-18-19(14)11-5-6-15-16(9-11)21-10-20-15/h1-9H,10H2
InChIKeyFKALUBJBRUMKRV-UHFFFAOYSA-N
XLogP3.41
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]pyridine
CID 141141769
3-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]-1-phenylpyridazin-4-one
CID 46219190
2-[2-(2-fluorophenyl)pyrazol-3-yl]phenol
CID 135465517
(3S,4S)-3-amino-1-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)azetidin-2-one
CID 124503716
2-[5-(2-fluorophenyl)pyrazol-1-yl]ethanol
CID 91409048
4-(1,3-benzodioxol-5-yl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109072
(2S)-3-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 9007630
1-(1,3-benzodioxol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
CID 121004245
3-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-3-yl]-1H-pyridazin-2-yl]phenol
CID 67429050
1-[4-fluoro-3-(2-phenylpyrazol-3-yl)phenyl]-N-methylmethanamine
CID 107331058
2-(1,3-benzodioxol-5-yl)-6-chloro-4-(2-fluorophenyl)quinoline
CID 8966961
[2-(2-phenylpyrazol-3-yl)phenyl]methanamine
CID 107330991

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-5-(2-fluorophenyl)pyrazole?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-5-(2-fluorophenyl)pyrazole (CID 141141771) is 1-(1,3-benzodioxol-5-yl)-5-(2-fluorophenyl)pyrazole.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-5-(2-fluorophenyl)pyrazole?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-5-(2-fluorophenyl)pyrazole is Fc1ccccc1-c1ccnn1-c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-5-(2-fluorophenyl)pyrazole?
The InChIKey is FKALUBJBRUMKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-13-4-2-1-3-12(13)14-7-8-18-19(14)11-5-6-15-16(9-11)21-10-20-15/h1-9H,10H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-5-(2-fluorophenyl)pyrazole?
1-(1,3-benzodioxol-5-yl)-5-(2-fluorophenyl)pyrazole has a molecular weight of 282.27 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-5-(2-fluorophenyl)pyrazole is sourced from PubChem (CID 141141771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).