1-(2-bromophenyl)sulfanyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-methylpropan-2-amine

C16H22BrN3S — CID 66144856

IUPAC1-(2-bromophenyl)sulfanyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-methylpropan-2-amine
SMILESCCn1nc(C)cc1CC(CSc1ccccc1Br)NC
InChIInChI=1S/C16H22BrN3S/c1-4-20-14(9-12(2)19-20)10-13(18-3)11-21-16-8-6-5-7-15(16)17/h5-9,13,18H,4,10-11H2,1-3H3
InChIKeyVNCXOFRSPQODJH-UHFFFAOYSA-N
MW368.34 g/mol
LogP3.90
Rot. Bonds7

About 1-(2-bromophenyl)sulfanyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-methylpropan-2-amine

1-(2-bromophenyl)sulfanyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-methylpropan-2-amine (PubChem CID 66144856) has the molecular formula C16H22BrN3S and a molecular weight of 368.34 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-methylpropan-2-amine
PubChem CID66144856
Molecular FormulaC16H22BrN3S
Molecular Weight368.34 g/mol
Exact Mass367.07
IUPAC Name1-(2-bromophenyl)sulfanyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-methylpropan-2-amine
SMILESCCn1nc(C)cc1CC(CSc1ccccc1Br)NC
InChIInChI=1S/C16H22BrN3S/c1-4-20-14(9-12(2)19-20)10-13(18-3)11-21-16-8-6-5-7-15(16)17/h5-9,13,18H,4,10-11H2,1-3H3
InChIKeyVNCXOFRSPQODJH-UHFFFAOYSA-N
XLogP3.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 66143104
1-(2-bromophenyl)sulfanyl-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 66143687
1-(2-bromophenyl)sulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylpropan-2-amine
CID 66143107
1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144658
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylundecan-2-amine
CID 105002717
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105162422
4-[3-(2-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine
CID 66144269
[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylsulfanylphenyl)ethyl]hydrazine
CID 105318994
1-(2-bromo-5-methylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 105002601
1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 66145246
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2-bromophenyl)sulfanyl-N-methylethanamine
CID 114656321
1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144079

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-methylpropan-2-amine (CID 66144856) is 1-(2-bromophenyl)sulfanyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-methylpropan-2-amine is CCn1nc(C)cc1CC(CSc1ccccc1Br)NC.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-methylpropan-2-amine?
The InChIKey is VNCXOFRSPQODJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3S/c1-4-20-14(9-12(2)19-20)10-13(18-3)11-21-16-8-6-5-7-15(16)17/h5-9,13,18H,4,10-11H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)sulfanyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-methylpropan-2-amine?
1-(2-bromophenyl)sulfanyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-methylpropan-2-amine has a molecular weight of 368.34 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfanyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 66144856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).