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

C10H16F3N3S — CID 62410291

IUPAC2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1,1,1-trifluoropentan-3-amine
SMILESCCC(N)C(Sc1cc(C)nn1C)C(F)(F)F
InChIInChI=1S/C10H16F3N3S/c1-4-7(14)9(10(11,12)13)17-8-5-6(2)15-16(8)3/h5,7,9H,4,14H2,1-3H3
InChIKeyDQFPTRSAMMRIGV-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.49
Rot. Bonds4

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

2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1,1,1-trifluoropentan-3-amine (PubChem CID 62410291) has the molecular formula C10H16F3N3S and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1,1,1-trifluoropentan-3-amine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1,1,1-trifluoropentan-3-amine
PubChem CID62410291
Molecular FormulaC10H16F3N3S
Molecular Weight267.32 g/mol
Exact Mass267.10
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1,1,1-trifluoropentan-3-amine
SMILESCCC(N)C(Sc1cc(C)nn1C)C(F)(F)F
InChIInChI=1S/C10H16F3N3S/c1-4-7(14)9(10(11,12)13)17-8-5-6(2)15-16(8)3/h5,7,9H,4,14H2,1-3H3
InChIKeyDQFPTRSAMMRIGV-UHFFFAOYSA-N
XLogP2.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1,1,1-trifluoropentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1,1,1-trifluoropentan-3-amine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1,1,1-trifluoropentan-3-amine (CID 62410291) is 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1,1,1-trifluoropentan-3-amine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1,1,1-trifluoropentan-3-amine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1,1,1-trifluoropentan-3-amine is CCC(N)C(Sc1cc(C)nn1C)C(F)(F)F.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1,1,1-trifluoropentan-3-amine?
The InChIKey is DQFPTRSAMMRIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3S/c1-4-7(14)9(10(11,12)13)17-8-5-6(2)15-16(8)3/h5,7,9H,4,14H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1,1,1-trifluoropentan-3-amine?
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1,1,1-trifluoropentan-3-amine has a molecular weight of 267.32 g/mol, XLogP of 2.49, 4 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-1,1,1-trifluoropentan-3-amine is sourced from PubChem (CID 62410291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).