2-(3-fluorophenyl)sulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine

C15H20FN3S — CID 66070427

IUPAC2-(3-fluorophenyl)sulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
SMILESCCCn1nccc1C(CSc1cccc(F)c1)NC
InChIInChI=1S/C15H20FN3S/c1-3-9-19-15(7-8-18-19)14(17-2)11-20-13-6-4-5-12(16)10-13/h4-8,10,14,17H,3,9,11H2,1-2H3
InChIKeyPJLZVNAHENZQIK-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.48
Rot. Bonds7

About 2-(3-fluorophenyl)sulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine

2-(3-fluorophenyl)sulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine (PubChem CID 66070427) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
PubChem CID66070427
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC Name2-(3-fluorophenyl)sulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
SMILESCCCn1nccc1C(CSc1cccc(F)c1)NC
InChIInChI=1S/C15H20FN3S/c1-3-9-19-15(7-8-18-19)14(17-2)11-20-13-6-4-5-12(16)10-13/h4-8,10,14,17H,3,9,11H2,1-2H3
InChIKeyPJLZVNAHENZQIK-UHFFFAOYSA-N
XLogP3.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66071865
2-(3-chlorophenyl)sulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 66146843
2-ethylsulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 65128079
1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 114656071
1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072488
1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66071458
2-(2-chloro-6-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 63974493
2-(3-chlorophenyl)sulfanyl-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114688232
1-(5-bromo-3-methyltriazol-4-yl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 106462563
1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072696
N-methyl-3-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975742
N-methyl-3-(3-methylphenyl)-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 105148148

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)sulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine (CID 66070427) is 2-(3-fluorophenyl)sulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)sulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)sulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine is CCCn1nccc1C(CSc1cccc(F)c1)NC.
What is the InChIKey of 2-(3-fluorophenyl)sulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine?
The InChIKey is PJLZVNAHENZQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c1-3-9-19-15(7-8-18-19)14(17-2)11-20-13-6-4-5-12(16)10-13/h4-8,10,14,17H,3,9,11H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)sulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine?
2-(3-fluorophenyl)sulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine has a molecular weight of 293.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 66070427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).