3-(difluoromethyl)-4-ethyl-5-methyl-1-(oxan-2-yl)pyrazole

C12H18F2N2O — CID 70988458

IUPAC3-(difluoromethyl)-4-ethyl-5-methyl-1-(oxan-2-yl)pyrazole
SMILESCCc1c(C(F)F)nn(C2CCCCO2)c1C
InChIInChI=1S/C12H18F2N2O/c1-3-9-8(2)16(15-11(9)12(13)14)10-6-4-5-7-17-10/h10,12H,3-7H2,1-2H3
InChIKeySDHUEFXSMAVFCS-UHFFFAOYSA-N
MW244.28 g/mol
LogP3.39
Rot. Bonds3

About 3-(difluoromethyl)-4-ethyl-5-methyl-1-(oxan-2-yl)pyrazole

3-(difluoromethyl)-4-ethyl-5-methyl-1-(oxan-2-yl)pyrazole (PubChem CID 70988458) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-ethyl-5-methyl-1-(oxan-2-yl)pyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-4-ethyl-5-methyl-1-(oxan-2-yl)pyrazole
PubChem CID70988458
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name3-(difluoromethyl)-4-ethyl-5-methyl-1-(oxan-2-yl)pyrazole
SMILESCCc1c(C(F)F)nn(C2CCCCO2)c1C
InChIInChI=1S/C12H18F2N2O/c1-3-9-8(2)16(15-11(9)12(13)14)10-6-4-5-7-17-10/h10,12H,3-7H2,1-2H3
InChIKeySDHUEFXSMAVFCS-UHFFFAOYSA-N
XLogP3.39
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-ethyl-5-methyl-1-(oxan-2-yl)pyrazole?
The IUPAC name of 3-(difluoromethyl)-4-ethyl-5-methyl-1-(oxan-2-yl)pyrazole (CID 70988458) is 3-(difluoromethyl)-4-ethyl-5-methyl-1-(oxan-2-yl)pyrazole.
What is the SMILES notation for 3-(difluoromethyl)-4-ethyl-5-methyl-1-(oxan-2-yl)pyrazole?
The canonical SMILES for 3-(difluoromethyl)-4-ethyl-5-methyl-1-(oxan-2-yl)pyrazole is CCc1c(C(F)F)nn(C2CCCCO2)c1C.
What is the InChIKey of 3-(difluoromethyl)-4-ethyl-5-methyl-1-(oxan-2-yl)pyrazole?
The InChIKey is SDHUEFXSMAVFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-3-9-8(2)16(15-11(9)12(13)14)10-6-4-5-7-17-10/h10,12H,3-7H2,1-2H3.
What are the key properties of 3-(difluoromethyl)-4-ethyl-5-methyl-1-(oxan-2-yl)pyrazole?
3-(difluoromethyl)-4-ethyl-5-methyl-1-(oxan-2-yl)pyrazole has a molecular weight of 244.28 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-ethyl-5-methyl-1-(oxan-2-yl)pyrazole is sourced from PubChem (CID 70988458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).