1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine

C8H12F3N3O2S — CID 79872900

IUPAC1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine
SMILESCCS(=O)(=O)CCn1nc(N)cc1C(F)(F)F
InChIInChI=1S/C8H12F3N3O2S/c1-2-17(15,16)4-3-14-6(8(9,10)11)5-7(12)13-14/h5H,2-4H2,1H3,(H2,12,13)
InChIKeyVRWUPDWDLYSGGD-UHFFFAOYSA-N
MW271.26 g/mol
LogP0.92
Rot. Bonds4

About 1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine

1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine (PubChem CID 79872900) has the molecular formula C8H12F3N3O2S and a molecular weight of 271.26 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine
PubChem CID79872900
Molecular FormulaC8H12F3N3O2S
Molecular Weight271.26 g/mol
Exact Mass271.06
IUPAC Name1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine
SMILESCCS(=O)(=O)CCn1nc(N)cc1C(F)(F)F
InChIInChI=1S/C8H12F3N3O2S/c1-2-17(15,16)4-3-14-6(8(9,10)11)5-7(12)13-14/h5H,2-4H2,1H3,(H2,12,13)
InChIKeyVRWUPDWDLYSGGD-UHFFFAOYSA-N
XLogP0.92
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine?
The IUPAC name of 1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine (CID 79872900) is 1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine?
The canonical SMILES for 1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine is CCS(=O)(=O)CCn1nc(N)cc1C(F)(F)F.
What is the InChIKey of 1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine?
The InChIKey is VRWUPDWDLYSGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2S/c1-2-17(15,16)4-3-14-6(8(9,10)11)5-7(12)13-14/h5H,2-4H2,1H3,(H2,12,13).
What are the key properties of 1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine?
1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine has a molecular weight of 271.26 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine is sourced from PubChem (CID 79872900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).