1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)sulfanylpropan-2-amine

C15H19ClFN3S — CID 66072518

IUPAC1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)sulfanylpropan-2-amine
SMILESCCc1nn(C)c(CC(N)CSc2cccc(F)c2)c1Cl
InChIInChI=1S/C15H19ClFN3S/c1-3-13-15(16)14(20(2)19-13)8-11(18)9-21-12-6-4-5-10(17)7-12/h4-7,11H,3,8-9,18H2,1-2H3
InChIKeyDXUNYAVBRSPPKU-UHFFFAOYSA-N
MW327.86 g/mol
LogP3.44
Rot. Bonds6

About 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)sulfanylpropan-2-amine

1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)sulfanylpropan-2-amine (PubChem CID 66072518) has the molecular formula C15H19ClFN3S and a molecular weight of 327.86 g/mol. Its IUPAC name is 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)sulfanylpropan-2-amine
PubChem CID66072518
Molecular FormulaC15H19ClFN3S
Molecular Weight327.86 g/mol
Exact Mass327.10
IUPAC Name1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)sulfanylpropan-2-amine
SMILESCCc1nn(C)c(CC(N)CSc2cccc(F)c2)c1Cl
InChIInChI=1S/C15H19ClFN3S/c1-3-13-15(16)14(20(2)19-13)8-11(18)9-21-12-6-4-5-10(17)7-12/h4-7,11H,3,8-9,18H2,1-2H3
InChIKeyDXUNYAVBRSPPKU-UHFFFAOYSA-N
XLogP3.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-chlorophenyl)sulfanylpropan-2-amine
CID 66145999
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 66051535
1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 66071075
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 66071376
(1S)-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365053
1-(1-butan-2-ylpyrazol-3-yl)-3-(3-fluorophenyl)sulfanylpropan-2-amine
CID 66072725
1-(2-amino-5-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 82684546
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,6-difluorophenyl)ethyl]hydrazine
CID 105246689
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanamine
CID 104998324
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
CID 104889284
3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)propan-1-amine
CID 79432932
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-3-fluorophenyl)ethyl]hydrazine
CID 105316835

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)sulfanylpropan-2-amine (CID 66072518) is 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)sulfanylpropan-2-amine is CCc1nn(C)c(CC(N)CSc2cccc(F)c2)c1Cl.
What is the InChIKey of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)sulfanylpropan-2-amine?
The InChIKey is DXUNYAVBRSPPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3S/c1-3-13-15(16)14(20(2)19-13)8-11(18)9-21-12-6-4-5-10(17)7-12/h4-7,11H,3,8-9,18H2,1-2H3.
What are the key properties of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)sulfanylpropan-2-amine?
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)sulfanylpropan-2-amine has a molecular weight of 327.86 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 66072518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).