2-(3-bromophenyl)sulfanyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine

C15H20BrN3OS — CID 114656350

IUPAC2-(3-bromophenyl)sulfanyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
SMILESCCCn1ncc(OC)c1C(N)CSc1cccc(Br)c1
InChIInChI=1S/C15H20BrN3OS/c1-3-7-19-15(14(20-2)9-18-19)13(17)10-21-12-6-4-5-11(16)8-12/h4-6,8-9,13H,3,7,10,17H2,1-2H3
InChIKeyCIIGYFRRUWCVJH-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.86
Rot. Bonds7

About 2-(3-bromophenyl)sulfanyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine

2-(3-bromophenyl)sulfanyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine (PubChem CID 114656350) has the molecular formula C15H20BrN3OS and a molecular weight of 370.32 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
PubChem CID114656350
Molecular FormulaC15H20BrN3OS
Molecular Weight370.32 g/mol
Exact Mass369.05
IUPAC Name2-(3-bromophenyl)sulfanyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
SMILESCCCn1ncc(OC)c1C(N)CSc1cccc(Br)c1
InChIInChI=1S/C15H20BrN3OS/c1-3-7-19-15(14(20-2)9-18-19)13(17)10-21-12-6-4-5-11(16)8-12/h4-6,8-9,13H,3,7,10,17H2,1-2H3
InChIKeyCIIGYFRRUWCVJH-UHFFFAOYSA-N
XLogP3.86
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114688248
2-(3-bromophenyl)sulfanyl-1-(4-chloro-1-methylpyrazol-5-yl)ethanamine
CID 114656341
2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 114649071
(5-bromo-3-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114658293
2-(3-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 114646525
3-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114648518
2-(3-bromophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 66159604
2-(3-bromophenyl)sulfanyl-1-(4-chloro-3-methoxyphenyl)ethanamine
CID 79699921
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-chlorophenyl)sulfanylethanamine
CID 114656258
1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenoxyethanamine
CID 114649620
2-(4-bromophenyl)sulfanyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine
CID 114656012
(4-bromo-3-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048875

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine (CID 114656350) is 2-(3-bromophenyl)sulfanyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine is CCCn1ncc(OC)c1C(N)CSc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine?
The InChIKey is CIIGYFRRUWCVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3OS/c1-3-7-19-15(14(20-2)9-18-19)13(17)10-21-12-6-4-5-11(16)8-12/h4-6,8-9,13H,3,7,10,17H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)sulfanyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine?
2-(3-bromophenyl)sulfanyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine has a molecular weight of 370.32 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 114656350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).