1-methyl-4-methylsulfanyl-3-(trifluoromethyl)pyrazol-5-amine

C6H8F3N3S — CID 90333593

IUPAC1-methyl-4-methylsulfanyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCSc1c(C(F)(F)F)nn(C)c1N
InChIInChI=1S/C6H8F3N3S/c1-12-5(10)3(13-2)4(11-12)6(7,8)9/h10H2,1-2H3
InChIKeyPFILHVKOEMRQMQ-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.74
Rot. Bonds1

About 1-methyl-4-methylsulfanyl-3-(trifluoromethyl)pyrazol-5-amine

1-methyl-4-methylsulfanyl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 90333593) has the molecular formula C6H8F3N3S and a molecular weight of 211.21 g/mol. Its IUPAC name is 1-methyl-4-methylsulfanyl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-methylsulfanyl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID90333593
Molecular FormulaC6H8F3N3S
Molecular Weight211.21 g/mol
Exact Mass211.04
IUPAC Name1-methyl-4-methylsulfanyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCSc1c(C(F)(F)F)nn(C)c1N
InChIInChI=1S/C6H8F3N3S/c1-12-5(10)3(13-2)4(11-12)6(7,8)9/h10H2,1-2H3
InChIKeyPFILHVKOEMRQMQ-UHFFFAOYSA-N
XLogP1.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylsulfanyl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-methyl-4-methylsulfanyl-3-(trifluoromethyl)pyrazol-5-amine (CID 90333593) is 1-methyl-4-methylsulfanyl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-methylsulfanyl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-methylsulfanyl-3-(trifluoromethyl)pyrazol-5-amine is CSc1c(C(F)(F)F)nn(C)c1N.
What is the InChIKey of 1-methyl-4-methylsulfanyl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is PFILHVKOEMRQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3S/c1-12-5(10)3(13-2)4(11-12)6(7,8)9/h10H2,1-2H3.
What are the key properties of 1-methyl-4-methylsulfanyl-3-(trifluoromethyl)pyrazol-5-amine?
1-methyl-4-methylsulfanyl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 211.21 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylsulfanyl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 90333593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).