1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-amine

C7H10F3N3O2S — CID 66439829

IUPAC1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-amine
SMILESCS(=O)(=O)CCn1ncc(N)c1C(F)(F)F
InChIInChI=1S/C7H10F3N3O2S/c1-16(14,15)3-2-13-6(7(8,9)10)5(11)4-12-13/h4H,2-3,11H2,1H3
InChIKeySFLWSGUWJSRTAV-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.53
Rot. Bonds3

About 1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-amine

1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-amine (PubChem CID 66439829) has the molecular formula C7H10F3N3O2S and a molecular weight of 257.24 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-amine
PubChem CID66439829
Molecular FormulaC7H10F3N3O2S
Molecular Weight257.24 g/mol
Exact Mass257.04
IUPAC Name1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-amine
SMILESCS(=O)(=O)CCn1ncc(N)c1C(F)(F)F
InChIInChI=1S/C7H10F3N3O2S/c1-16(14,15)3-2-13-6(7(8,9)10)5(11)4-12-13/h4H,2-3,11H2,1H3
InChIKeySFLWSGUWJSRTAV-UHFFFAOYSA-N
XLogP0.53
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-amine (CID 66439829) is 1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-amine is CS(=O)(=O)CCn1ncc(N)c1C(F)(F)F.
What is the InChIKey of 1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is SFLWSGUWJSRTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2S/c1-16(14,15)3-2-13-6(7(8,9)10)5(11)4-12-13/h4H,2-3,11H2,1H3.
What are the key properties of 1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-amine?
1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 257.24 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 66439829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).