N-ethyl-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine

C14H18FN3S — CID 61385255

IUPACN-ethyl-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine
SMILESCCNC(C)c1cc(F)ccc1Sc1cnn(C)c1
InChIInChI=1S/C14H18FN3S/c1-4-16-10(2)13-7-11(15)5-6-14(13)19-12-8-17-18(3)9-12/h5-10,16H,4H2,1-3H3
InChIKeySLJHYKDEWFOTPV-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.38
Rot. Bonds5

About N-ethyl-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine

N-ethyl-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine (PubChem CID 61385255) has the molecular formula C14H18FN3S and a molecular weight of 279.38 g/mol. Its IUPAC name is N-ethyl-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine
PubChem CID61385255
Molecular FormulaC14H18FN3S
Molecular Weight279.38 g/mol
Exact Mass279.12
IUPAC NameN-ethyl-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine
SMILESCCNC(C)c1cc(F)ccc1Sc1cnn(C)c1
InChIInChI=1S/C14H18FN3S/c1-4-16-10(2)13-7-11(15)5-6-14(13)19-12-8-17-18(3)9-12/h5-10,16H,4H2,1-3H3
InChIKeySLJHYKDEWFOTPV-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanol
CID 63835113
N-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine
CID 43286078
N-ethyl-1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanamine
CID 43286467
N-[[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]propan-1-amine
CID 63813190
N-ethyl-1-[5-fluoro-2-(3-methylbutylsulfanyl)phenyl]ethanamine
CID 107750935
N-methyl-1-[2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine
CID 61385294
(1S)-1-[3-fluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine
CID 78938882
1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43224040
N-ethyl-1-[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]ethanamine
CID 63659572
N-ethyl-1-[5-fluoro-2-(3-methoxypropylsulfanyl)phenyl]ethanamine
CID 55260348
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43283921

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine?
The IUPAC name of N-ethyl-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine (CID 61385255) is N-ethyl-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine is CCNC(C)c1cc(F)ccc1Sc1cnn(C)c1.
What is the InChIKey of N-ethyl-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine?
The InChIKey is SLJHYKDEWFOTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3S/c1-4-16-10(2)13-7-11(15)5-6-14(13)19-12-8-17-18(3)9-12/h5-10,16H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine?
N-ethyl-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine has a molecular weight of 279.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 61385255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).