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

C7H10F3N3O2S — CID 79872803

IUPAC1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine
SMILESCS(=O)(=O)CCn1nc(N)cc1C(F)(F)F
InChIInChI=1S/C7H10F3N3O2S/c1-16(14,15)3-2-13-5(7(8,9)10)4-6(11)12-13/h4H,2-3H2,1H3,(H2,11,12)
InChIKeyBIGUPAUFCCCMAU-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.53
Rot. Bonds3

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

1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine (PubChem CID 79872803) has the molecular formula C7H10F3N3O2S and a molecular weight of 257.24 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine
PubChem CID79872803
Molecular FormulaC7H10F3N3O2S
Molecular Weight257.24 g/mol
Exact Mass257.04
IUPAC Name1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine
SMILESCS(=O)(=O)CCn1nc(N)cc1C(F)(F)F
InChIInChI=1S/C7H10F3N3O2S/c1-16(14,15)3-2-13-5(7(8,9)10)4-6(11)12-13/h4H,2-3H2,1H3,(H2,11,12)
InChIKeyBIGUPAUFCCCMAU-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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Related Compounds

3-(5-amino-3-methyl-1H-pyrazol-1-yl)tetrahydrothiophene 1,1-dioxide
CID 2772275
5-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19622835
1-(2,2-difluoroethyl)-5-methyl-1H-pyrazol-3-amine
CID 19622837
1-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 25247986
1-Isopropyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 79873269
1-Butyl-5-(trifluoromethyl)pyrazol-3-amine
CID 79873467
3-Methyl-5-(3-methylsulfonylpyrrolidin-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole
CID 141278691
5-Methyl-1-(2,2,3,3-tetrafluoropropyl)-1H-pyrazol-3-amine
CID 19622836
1-(1,1-Dioxothiolan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 43159045
1-Ethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine hydrochloride
CID 56604808
1-(1,1-Dioxothiolan-3-yl)-5-(trifluoromethyl)pyrazol-3-amine
CID 79872618
1-(2-Ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine
CID 79872900

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine?
The IUPAC name of 1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine (CID 79872803) is 1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine?
The canonical SMILES for 1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine is CS(=O)(=O)CCn1nc(N)cc1C(F)(F)F.
What is the InChIKey of 1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine?
The InChIKey is BIGUPAUFCCCMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2S/c1-16(14,15)3-2-13-5(7(8,9)10)4-6(11)12-13/h4H,2-3H2,1H3,(H2,11,12).
What are the key properties of 1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-amine?
1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyrazol-3-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-3-amine is sourced from PubChem (CID 79872803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).