1-methyl-4-(trifluoromethylsulfanyl)pyrazol-3-amine

C5H6F3N3S — CID 21464385

IUPAC1-methyl-4-(trifluoromethylsulfanyl)pyrazol-3-amine
SMILESCn1cc(SC(F)(F)F)c(N)n1
InChIInChI=1S/C5H6F3N3S/c1-11-2-3(4(9)10-11)12-5(6,7)8/h2H,1H3,(H2,9,10)
InChIKeyCNLGJOAHQMNMAI-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.61
Rot. Bonds1

About 1-methyl-4-(trifluoromethylsulfanyl)pyrazol-3-amine

1-methyl-4-(trifluoromethylsulfanyl)pyrazol-3-amine (PubChem CID 21464385) has the molecular formula C5H6F3N3S and a molecular weight of 197.19 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethylsulfanyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethylsulfanyl)pyrazol-3-amine
PubChem CID21464385
Molecular FormulaC5H6F3N3S
Molecular Weight197.19 g/mol
Exact Mass197.02
IUPAC Name1-methyl-4-(trifluoromethylsulfanyl)pyrazol-3-amine
SMILESCn1cc(SC(F)(F)F)c(N)n1
InChIInChI=1S/C5H6F3N3S/c1-11-2-3(4(9)10-11)12-5(6,7)8/h2H,1H3,(H2,9,10)
InChIKeyCNLGJOAHQMNMAI-UHFFFAOYSA-N
XLogP1.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethylsulfanyl)pyrazol-3-amine?
The IUPAC name of 1-methyl-4-(trifluoromethylsulfanyl)pyrazol-3-amine (CID 21464385) is 1-methyl-4-(trifluoromethylsulfanyl)pyrazol-3-amine.
What is the SMILES notation for 1-methyl-4-(trifluoromethylsulfanyl)pyrazol-3-amine?
The canonical SMILES for 1-methyl-4-(trifluoromethylsulfanyl)pyrazol-3-amine is Cn1cc(SC(F)(F)F)c(N)n1.
What is the InChIKey of 1-methyl-4-(trifluoromethylsulfanyl)pyrazol-3-amine?
The InChIKey is CNLGJOAHQMNMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3S/c1-11-2-3(4(9)10-11)12-5(6,7)8/h2H,1H3,(H2,9,10).
What are the key properties of 1-methyl-4-(trifluoromethylsulfanyl)pyrazol-3-amine?
1-methyl-4-(trifluoromethylsulfanyl)pyrazol-3-amine has a molecular weight of 197.19 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethylsulfanyl)pyrazol-3-amine is sourced from PubChem (CID 21464385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).