3-fluoro-1-(oxan-2-yl)pyrazole

C8H11FN2O — CID 149483062

IUPAC3-fluoro-1-(oxan-2-yl)pyrazole
SMILESFc1ccn(C2CCCCO2)n1
InChIInChI=1S/C8H11FN2O/c9-7-4-5-11(10-7)8-3-1-2-6-12-8/h4-5,8H,1-3,6H2
InChIKeyZDQFOVFAHNRKGI-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.72
Rot. Bonds1

About 3-fluoro-1-(oxan-2-yl)pyrazole

3-fluoro-1-(oxan-2-yl)pyrazole (PubChem CID 149483062) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 3-fluoro-1-(oxan-2-yl)pyrazole.

Molecular Properties

Compound Name3-fluoro-1-(oxan-2-yl)pyrazole
PubChem CID149483062
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name3-fluoro-1-(oxan-2-yl)pyrazole
SMILESFc1ccn(C2CCCCO2)n1
InChIInChI=1S/C8H11FN2O/c9-7-4-5-11(10-7)8-3-1-2-6-12-8/h4-5,8H,1-3,6H2
InChIKeyZDQFOVFAHNRKGI-UHFFFAOYSA-N
XLogP1.72
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Tetrahydropyranyl)-1H-pyrazole
CID 21866310
4-bromo-1-(oxan-2-yl)-1H-pyrazole
CID 46739466
1-(Tetrahydropyran-2-yl)pyrazole-5-boronic acid
CID 46739463
3-bromo-1-(oxan-2-yl)-1H-pyrazole
CID 57576537
5-bromo-1-(oxan-2-yl)-1H-pyrazole
CID 66524323
3-iodo-1-(oxan-4-yl)-1H-pyrazole
CID 79788050
1-[(2R)-oxan-2-yl]pyrazole
CID 44141286
1-[1-(1,1-Difluorobutoxy)-2,2,2-trifluoroethyl]pyrazole
CID 57667503
1-(tetrahydro-2H-pyran-2-yl)-3-(trifluoromethyl)-1H-pyrazole
CID 67468793
5-Fluoro-3-iodo-1-(oxan-2-yl)pyrazole
CID 130296935
5-Fluoro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
CID 130296977
1-(Tetrahydro-2H-pyran-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 130296981

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(oxan-2-yl)pyrazole?
The IUPAC name of 3-fluoro-1-(oxan-2-yl)pyrazole (CID 149483062) is 3-fluoro-1-(oxan-2-yl)pyrazole.
What is the SMILES notation for 3-fluoro-1-(oxan-2-yl)pyrazole?
The canonical SMILES for 3-fluoro-1-(oxan-2-yl)pyrazole is Fc1ccn(C2CCCCO2)n1.
What is the InChIKey of 3-fluoro-1-(oxan-2-yl)pyrazole?
The InChIKey is ZDQFOVFAHNRKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c9-7-4-5-11(10-7)8-3-1-2-6-12-8/h4-5,8H,1-3,6H2.
What are the key properties of 3-fluoro-1-(oxan-2-yl)pyrazole?
3-fluoro-1-(oxan-2-yl)pyrazole has a molecular weight of 170.19 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(oxan-2-yl)pyrazole is sourced from PubChem (CID 149483062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).