1-(4-bromophenyl)sulfanyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine

C15H20BrN3S — CID 66057081

IUPAC1-(4-bromophenyl)sulfanyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
SMILESCCc1cc(CC(N)CSc2ccc(Br)cc2)n(C)n1
InChIInChI=1S/C15H20BrN3S/c1-3-13-9-14(19(2)18-13)8-12(17)10-20-15-6-4-11(16)5-7-15/h4-7,9,12H,3,8,10,17H2,1-2H3
InChIKeyCHSKCQMRTQRRFN-UHFFFAOYSA-N
MW354.32 g/mol
LogP3.41
Rot. Bonds6

About 1-(4-bromophenyl)sulfanyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine

1-(4-bromophenyl)sulfanyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine (PubChem CID 66057081) has the molecular formula C15H20BrN3S and a molecular weight of 354.32 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
PubChem CID66057081
Molecular FormulaC15H20BrN3S
Molecular Weight354.32 g/mol
Exact Mass353.06
IUPAC Name1-(4-bromophenyl)sulfanyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
SMILESCCc1cc(CC(N)CSc2ccc(Br)cc2)n(C)n1
InChIInChI=1S/C15H20BrN3S/c1-3-13-9-14(19(2)18-13)8-12(17)10-20-15-6-4-11(16)5-7-15/h4-7,9,12H,3,8,10,17H2,1-2H3
InChIKeyCHSKCQMRTQRRFN-UHFFFAOYSA-N
XLogP3.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine
CID 114211654
1-(4-bromo-2-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999104
1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine
CID 104999148
1-(3-chlorophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-amine
CID 66147462
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine
CID 115649859
[1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 107948325
1-(4-bromophenyl)sulfanyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 66056088
1-(2,6-dimethyl-4-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 107503326
1-(3-bromophenyl)sulfanyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876943
1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
CID 105160098
1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 107946163
1-(2-bromo-5-fluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999266

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine (CID 66057081) is 1-(4-bromophenyl)sulfanyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine is CCc1cc(CC(N)CSc2ccc(Br)cc2)n(C)n1.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine?
The InChIKey is CHSKCQMRTQRRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3S/c1-3-13-9-14(19(2)18-13)8-12(17)10-20-15-6-4-11(16)5-7-15/h4-7,9,12H,3,8,10,17H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)sulfanyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine?
1-(4-bromophenyl)sulfanyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine has a molecular weight of 354.32 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfanyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine is sourced from PubChem (CID 66057081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).