3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole

C11H16F2N2S — CID 90162114

IUPAC3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole
SMILESCC(C)n1nc(C(C)(F)F)c2c1CCSC2
InChIInChI=1S/C11H16F2N2S/c1-7(2)15-9-4-5-16-6-8(9)10(14-15)11(3,12)13/h7H,4-6H2,1-3H3
InChIKeyFGKMAAINUVEDHV-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.37
Rot. Bonds2

About 3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole

3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole (PubChem CID 90162114) has the molecular formula C11H16F2N2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole
PubChem CID90162114
Molecular FormulaC11H16F2N2S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole
SMILESCC(C)n1nc(C(C)(F)F)c2c1CCSC2
InChIInChI=1S/C11H16F2N2S/c1-7(2)15-9-4-5-16-6-8(9)10(14-15)11(3,12)13/h7H,4-6H2,1-3H3
InChIKeyFGKMAAINUVEDHV-UHFFFAOYSA-N
XLogP3.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole?
The IUPAC name of 3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole (CID 90162114) is 3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole?
The canonical SMILES for 3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole is CC(C)n1nc(C(C)(F)F)c2c1CCSC2.
What is the InChIKey of 3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole?
The InChIKey is FGKMAAINUVEDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2S/c1-7(2)15-9-4-5-16-6-8(9)10(14-15)11(3,12)13/h7H,4-6H2,1-3H3.
What are the key properties of 3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole?
3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole has a molecular weight of 246.33 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole is sourced from PubChem (CID 90162114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).