2-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,3,3-trifluoropropan-1-amine

C8H12F3N3S — CID 62408594

IUPAC2-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,3,3-trifluoropropan-1-amine
SMILESCc1cc(SC(CN)C(F)(F)F)n(C)n1
InChIInChI=1S/C8H12F3N3S/c1-5-3-7(14(2)13-5)15-6(4-12)8(9,10)11/h3,6H,4,12H2,1-2H3
InChIKeyRIZNOMRTMYMTQF-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.71
Rot. Bonds3

About 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,3,3-trifluoropropan-1-amine

2-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,3,3-trifluoropropan-1-amine (PubChem CID 62408594) has the molecular formula C8H12F3N3S and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,3,3-trifluoropropan-1-amine
PubChem CID62408594
Molecular FormulaC8H12F3N3S
Molecular Weight239.27 g/mol
Exact Mass239.07
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,3,3-trifluoropropan-1-amine
SMILESCc1cc(SC(CN)C(F)(F)F)n(C)n1
InChIInChI=1S/C8H12F3N3S/c1-5-3-7(14(2)13-5)15-6(4-12)8(9,10)11/h3,6H,4,12H2,1-2H3
InChIKeyRIZNOMRTMYMTQF-UHFFFAOYSA-N
XLogP1.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,3,3-trifluoropropan-1-amine (CID 62408594) is 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,3,3-trifluoropropan-1-amine is Cc1cc(SC(CN)C(F)(F)F)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,3,3-trifluoropropan-1-amine?
The InChIKey is RIZNOMRTMYMTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3S/c1-5-3-7(14(2)13-5)15-6(4-12)8(9,10)11/h3,6H,4,12H2,1-2H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,3,3-trifluoropropan-1-amine?
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,3,3-trifluoropropan-1-amine has a molecular weight of 239.27 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 62408594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).