3,3,3-trifluoro-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-amine

C7H10F3N3S — CID 61384666

IUPAC3,3,3-trifluoro-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-amine
SMILESCn1cc(SC(CN)C(F)(F)F)cn1
InChIInChI=1S/C7H10F3N3S/c1-13-4-5(3-12-13)14-6(2-11)7(8,9)10/h3-4,6H,2,11H2,1H3
InChIKeyZPMJIRHWZBZKIC-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.40
Rot. Bonds3

About 3,3,3-trifluoro-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-amine

3,3,3-trifluoro-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-amine (PubChem CID 61384666) has the molecular formula C7H10F3N3S and a molecular weight of 225.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-amine
PubChem CID61384666
Molecular FormulaC7H10F3N3S
Molecular Weight225.24 g/mol
Exact Mass225.05
IUPAC Name3,3,3-trifluoro-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-amine
SMILESCn1cc(SC(CN)C(F)(F)F)cn1
InChIInChI=1S/C7H10F3N3S/c1-13-4-5(3-12-13)14-6(2-11)7(8,9)10/h3-4,6H,2,11H2,1H3
InChIKeyZPMJIRHWZBZKIC-UHFFFAOYSA-N
XLogP1.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-amine (CID 61384666) is 3,3,3-trifluoro-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-amine is Cn1cc(SC(CN)C(F)(F)F)cn1.
What is the InChIKey of 3,3,3-trifluoro-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-amine?
The InChIKey is ZPMJIRHWZBZKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S/c1-13-4-5(3-12-13)14-6(2-11)7(8,9)10/h3-4,6H,2,11H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-amine?
3,3,3-trifluoro-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-amine has a molecular weight of 225.24 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-amine is sourced from PubChem (CID 61384666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).