3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole

C10H14F2N2S — CID 90162086

IUPAC3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole
SMILESCC(C)n1nc(C(C)(F)F)c2c1CSC2
InChIInChI=1S/C10H14F2N2S/c1-6(2)14-8-5-15-4-7(8)9(13-14)10(3,11)12/h6H,4-5H2,1-3H3
InChIKeyKHZIAKYGQKPSJD-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.32
Rot. Bonds2

About 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole

3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole (PubChem CID 90162086) has the molecular formula C10H14F2N2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole
PubChem CID90162086
Molecular FormulaC10H14F2N2S
Molecular Weight232.30 g/mol
Exact Mass232.08
IUPAC Name3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole
SMILESCC(C)n1nc(C(C)(F)F)c2c1CSC2
InChIInChI=1S/C10H14F2N2S/c1-6(2)14-8-5-15-4-7(8)9(13-14)10(3,11)12/h6H,4-5H2,1-3H3
InChIKeyKHZIAKYGQKPSJD-UHFFFAOYSA-N
XLogP3.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.32
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-4,6-dihydrothieno[3,4-d]pyrazole?
The IUPAC name of 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole (CID 90162086) is 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole?
The canonical SMILES for 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole is CC(C)n1nc(C(C)(F)F)c2c1CSC2.
What is the InChIKey of 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole?
The InChIKey is KHZIAKYGQKPSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2S/c1-6(2)14-8-5-15-4-7(8)9(13-14)10(3,11)12/h6H,4-5H2,1-3H3.
What are the key properties of 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole?
3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole has a molecular weight of 232.30 g/mol, XLogP of 3.32, 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-4,6-dihydrothieno[3,4-d]pyrazole is sourced from PubChem (CID 90162086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).