1-ethyl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide

C9H11F3N2O2S — CID 121214728

IUPAC1-ethyl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide
SMILESCCn1nc(C(F)(F)F)c2c1CCS(=O)(=O)C2
InChIInChI=1S/C9H11F3N2O2S/c1-2-14-7-3-4-17(15,16)5-6(7)8(13-14)9(10,11)12/h2-5H2,1H3
InChIKeyCWGQWVZMCYNBGK-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.39
Rot. Bonds1

About 1-ethyl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide

1-ethyl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide (PubChem CID 121214728) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 1-ethyl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide.

Molecular Properties

Compound Name1-ethyl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide
PubChem CID121214728
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Name1-ethyl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide
SMILESCCn1nc(C(F)(F)F)c2c1CCS(=O)(=O)C2
InChIInChI=1S/C9H11F3N2O2S/c1-2-14-7-3-4-17(15,16)5-6(7)8(13-14)9(10,11)12/h2-5H2,1H3
InChIKeyCWGQWVZMCYNBGK-UHFFFAOYSA-N
XLogP1.39
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-(3,3,3-Trifluoropropanesulfonyl)-7,8,11-triazatricyclo[6.4.0.0^{2,6}]dodeca-1,6-diene
CID 119102663
2-(3-(trifluoromethyl)-6,7-dihydrothiopyrano[4,3-c]pyrazol-1(4H)-yl)acetic acid
CID 86719792
3-[[5-(2,2-difluoroethyl)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole
CID 89164389
3-(1,1-Difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole
CID 90162086
3-(1,1-Difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole 5,5-dioxide
CID 90162089
3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole
CID 90162114
3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide
CID 90162133
1-Isopropyl-3-(trifluoromethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole
CID 90162753
1-Propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole 5,5-dioxide
CID 90162772
1-Methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole
CID 90167686
1-Methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide
CID 90167801
2,6-dimethyl-3-(trifluoromethylsulfonylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 90452351

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide?
The IUPAC name of 1-ethyl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide (CID 121214728) is 1-ethyl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide.
What is the SMILES notation for 1-ethyl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide?
The canonical SMILES for 1-ethyl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide is CCn1nc(C(F)(F)F)c2c1CCS(=O)(=O)C2.
What is the InChIKey of 1-ethyl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide?
The InChIKey is CWGQWVZMCYNBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-2-14-7-3-4-17(15,16)5-6(7)8(13-14)9(10,11)12/h2-5H2,1H3.
What are the key properties of 1-ethyl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide?
1-ethyl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide has a molecular weight of 268.26 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide is sourced from PubChem (CID 121214728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).