1-(2-bromophenyl)sulfanyl-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine

C16H22BrN3S — CID 66142724

IUPAC1-(2-bromophenyl)sulfanyl-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
SMILESCCNC(CSc1ccccc1Br)Cc1cnn(CC)c1
InChIInChI=1S/C16H22BrN3S/c1-3-18-14(9-13-10-19-20(4-2)11-13)12-21-16-8-6-5-7-15(16)17/h5-8,10-11,14,18H,3-4,9,12H2,1-2H3
InChIKeyQGJQWKAFCGKPIW-UHFFFAOYSA-N
MW368.34 g/mol
LogP3.98
Rot. Bonds8

About 1-(2-bromophenyl)sulfanyl-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine

1-(2-bromophenyl)sulfanyl-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine (PubChem CID 66142724) has the molecular formula C16H22BrN3S and a molecular weight of 368.34 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
PubChem CID66142724
Molecular FormulaC16H22BrN3S
Molecular Weight368.34 g/mol
Exact Mass367.07
IUPAC Name1-(2-bromophenyl)sulfanyl-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
SMILESCCNC(CSc1ccccc1Br)Cc1cnn(CC)c1
InChIInChI=1S/C16H22BrN3S/c1-3-18-14(9-13-10-19-20(4-2)11-13)12-21-16-8-6-5-7-15(16)17/h5-8,10-11,14,18H,3-4,9,12H2,1-2H3
InChIKeyQGJQWKAFCGKPIW-UHFFFAOYSA-N
XLogP3.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-3-phenylsulfanyl-N-propylpropan-2-amine
CID 65143155
1-(3-bromophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 62126268
1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66144284
1-(2-bromophenyl)sulfanyl-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 66143893
N-ethyl-1-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutan-2-amine
CID 105114746
1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine
CID 82922636
2-(2-bromophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanol
CID 66142695
N-ethyl-1-(1-ethylpyrazol-4-yl)-5-methoxyhexan-2-amine
CID 105114560
1-(2,4-dibromophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107945297
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 63024204
1-(3-chloro-2-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 82789190
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62125739

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine (CID 66142724) is 1-(2-bromophenyl)sulfanyl-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine is CCNC(CSc1ccccc1Br)Cc1cnn(CC)c1.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine?
The InChIKey is QGJQWKAFCGKPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3S/c1-3-18-14(9-13-10-19-20(4-2)11-13)12-21-16-8-6-5-7-15(16)17/h5-8,10-11,14,18H,3-4,9,12H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)sulfanyl-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine?
1-(2-bromophenyl)sulfanyl-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine has a molecular weight of 368.34 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfanyl-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 66142724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).