N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine

C15H20FN3OS — CID 114656065

IUPACN-ethyl-2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
SMILESCCNC(CSc1ccccc1F)c1c(OC)cnn1C
InChIInChI=1S/C15H20FN3OS/c1-4-17-12(15-13(20-3)9-18-19(15)2)10-21-14-8-6-5-7-11(14)16/h5-9,12,17H,4,10H2,1-3H3
InChIKeyHFHKZGYXFPILEC-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.01
Rot. Bonds7

About N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine

N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine (PubChem CID 114656065) has the molecular formula C15H20FN3OS and a molecular weight of 309.41 g/mol. Its IUPAC name is N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
PubChem CID114656065
Molecular FormulaC15H20FN3OS
Molecular Weight309.41 g/mol
Exact Mass309.13
IUPAC NameN-ethyl-2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
SMILESCCNC(CSc1ccccc1F)c1c(OC)cnn1C
InChIInChI=1S/C15H20FN3OS/c1-4-17-12(15-13(20-3)9-18-19(15)2)10-21-14-8-6-5-7-11(14)16/h5-9,12,17H,4,10H2,1-3H3
InChIKeyHFHKZGYXFPILEC-UHFFFAOYSA-N
XLogP3.01
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(2-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114648626
N-[1-(4-chloro-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine
CID 114656036
2-butan-2-ylsulfanyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114654035
2-(2-bromophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine
CID 114656330
N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 66053102
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114654144
[2-(2-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 105206986
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105046940
[2-(4-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 105236731
N-[(3-fluoro-4-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114647859
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine
CID 114648370
N-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114646379

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine?
The IUPAC name of N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine (CID 114656065) is N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine is CCNC(CSc1ccccc1F)c1c(OC)cnn1C.
What is the InChIKey of N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine?
The InChIKey is HFHKZGYXFPILEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3OS/c1-4-17-12(15-13(20-3)9-18-19(15)2)10-21-14-8-6-5-7-11(14)16/h5-9,12,17H,4,10H2,1-3H3.
What are the key properties of N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine?
N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine has a molecular weight of 309.41 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 114656065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).