2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-fluorophenyl)ethanamine

C13H16FN3S — CID 55070817

IUPAC2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-fluorophenyl)ethanamine
SMILESCc1cc(SC(CN)c2cccc(F)c2)n(C)n1
InChIInChI=1S/C13H16FN3S/c1-9-6-13(17(2)16-9)18-12(8-15)10-4-3-5-11(14)7-10/h3-7,12H,8,15H2,1-2H3
InChIKeyIMGDCXQGFYSEAP-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.66
Rot. Bonds4

About 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-fluorophenyl)ethanamine

2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-fluorophenyl)ethanamine (PubChem CID 55070817) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-fluorophenyl)ethanamine
PubChem CID55070817
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-fluorophenyl)ethanamine
SMILESCc1cc(SC(CN)c2cccc(F)c2)n(C)n1
InChIInChI=1S/C13H16FN3S/c1-9-6-13(17(2)16-9)18-12(8-15)10-4-3-5-11(14)7-10/h3-7,12H,8,15H2,1-2H3
InChIKeyIMGDCXQGFYSEAP-UHFFFAOYSA-N
XLogP2.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.66
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-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-fluorophenyl)ethanamine (CID 55070817) is 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-fluorophenyl)ethanamine is Cc1cc(SC(CN)c2cccc(F)c2)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-fluorophenyl)ethanamine?
The InChIKey is IMGDCXQGFYSEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-9-6-13(17(2)16-9)18-12(8-15)10-4-3-5-11(14)7-10/h3-7,12H,8,15H2,1-2H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-fluorophenyl)ethanamine?
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-fluorophenyl)ethanamine has a molecular weight of 265.36 g/mol, XLogP of 2.66, 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-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 55070817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).