1-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine

C8H10F3N3O2S — CID 43159045

IUPAC1-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESNc1cc(C(F)(F)F)nn1C1CCS(=O)(=O)C1
InChIInChI=1S/C8H10F3N3O2S/c9-8(10,11)6-3-7(12)14(13-6)5-1-2-17(15,16)4-5/h3,5H,1-2,4,12H2
InChIKeyXIHYZGVITRXIJF-UHFFFAOYSA-N
MW269.25 g/mol
LogP0.84
Rot. Bonds1

About 1-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine

1-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 43159045) has the molecular formula C8H10F3N3O2S and a molecular weight of 269.25 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID43159045
Molecular FormulaC8H10F3N3O2S
Molecular Weight269.25 g/mol
Exact Mass269.04
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESNc1cc(C(F)(F)F)nn1C1CCS(=O)(=O)C1
InChIInChI=1S/C8H10F3N3O2S/c9-8(10,11)6-3-7(12)14(13-6)5-1-2-17(15,16)4-5/h3,5H,1-2,4,12H2
InChIKeyXIHYZGVITRXIJF-UHFFFAOYSA-N
XLogP0.84
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-amino-3-methyl-1H-pyrazol-1-yl)tetrahydrothiophene 1,1-dioxide
CID 2772275
3-Methyl-5-(3-methylsulfonylpyrrolidin-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole
CID 141278691
1-(1,1-Dioxothiolan-3-yl)-4-methyl-3-(trifluoromethyl)pyrazol-5-amine
CID 43159021
1-(1,1-Dioxothiolan-3-yl)-5-(trifluoromethyl)pyrazol-3-amine
CID 79872618
1-(2-Methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine
CID 79872803
1-(2-Ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine
CID 79872900
1-(3-Methyl-1,1-dioxothiolan-3-yl)-5-(trifluoromethyl)pyrazol-3-amine
CID 79873174
3-(1,1-Difluoroethyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
CID 114249499
N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide
CID 138046705
3-(5-Amino-3,4-dimethyl-1h-pyrazol-1-yl)tetrahydrothiophene 1,1-dioxide
CID 43159025
2-(1,1-Dihydroxythiolan-3-yl)-5-methylpyrazol-3-amine
CID 53421965
3-(3-Amino-5-methyl-1h-pyrazol-1-yl)tetrahydrothiophene 1,1-dioxide
CID 62678493

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine (CID 43159045) is 1-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine is Nc1cc(C(F)(F)F)nn1C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is XIHYZGVITRXIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2S/c9-8(10,11)6-3-7(12)14(13-6)5-1-2-17(15,16)4-5/h3,5H,1-2,4,12H2.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
1-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 269.25 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 43159045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).