3-(difluoromethyl)-1-(oxan-4-yl)pyrazole

C9H12F2N2O — CID 175707701

IUPAC3-(difluoromethyl)-1-(oxan-4-yl)pyrazole
SMILESFC(F)c1ccn(C2CCOCC2)n1
InChIInChI=1S/C9H12F2N2O/c10-9(11)8-1-4-13(12-8)7-2-5-14-6-3-7/h1,4,7,9H,2-3,5-6H2
InChIKeyJOUBAGFRARUXBW-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.17
Rot. Bonds2

About 3-(difluoromethyl)-1-(oxan-4-yl)pyrazole

3-(difluoromethyl)-1-(oxan-4-yl)pyrazole (PubChem CID 175707701) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(oxan-4-yl)pyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(oxan-4-yl)pyrazole
PubChem CID175707701
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name3-(difluoromethyl)-1-(oxan-4-yl)pyrazole
SMILESFC(F)c1ccn(C2CCOCC2)n1
InChIInChI=1S/C9H12F2N2O/c10-9(11)8-1-4-13(12-8)7-2-5-14-6-3-7/h1,4,7,9H,2-3,5-6H2
InChIKeyJOUBAGFRARUXBW-UHFFFAOYSA-N
XLogP2.17
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(difluoromethyl)-1-(oxan-4-yl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 64453825
CID 64453825
CID 75485677
CID 75485677
CID 66016918
CID 66016918
CID 155821915
CID 155821915
CID 134970188
CID 134970188
CID 57780455
CID 57780455
CID 59556146
CID 59556146
CID 66014336
CID 66014336
CID 66015338
CID 66015338
CID 66016327
CID 66016327
CID 67153900
CID 67153900
CID 67468793
CID 67468793

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-(oxan-4-yl)pyrazole?
The IUPAC name of 3-(difluoromethyl)-1-(oxan-4-yl)pyrazole (CID 175707701) is 3-(difluoromethyl)-1-(oxan-4-yl)pyrazole.
What is the SMILES notation for 3-(difluoromethyl)-1-(oxan-4-yl)pyrazole?
The canonical SMILES for 3-(difluoromethyl)-1-(oxan-4-yl)pyrazole is FC(F)c1ccn(C2CCOCC2)n1.
What is the InChIKey of 3-(difluoromethyl)-1-(oxan-4-yl)pyrazole?
The InChIKey is JOUBAGFRARUXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c10-9(11)8-1-4-13(12-8)7-2-5-14-6-3-7/h1,4,7,9H,2-3,5-6H2.
What are the key properties of 3-(difluoromethyl)-1-(oxan-4-yl)pyrazole?
3-(difluoromethyl)-1-(oxan-4-yl)pyrazole has a molecular weight of 202.20 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(oxan-4-yl)pyrazole is sourced from PubChem (CID 175707701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).