2-(2-bromo-5-methoxyphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine

C16H22BrN3O — CID 105151031

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
SMILESCCn1nc(C)cc1C(Cc1cc(OC)ccc1Br)NC
InChIInChI=1S/C16H22BrN3O/c1-5-20-16(8-11(2)19-20)15(18-3)10-12-9-13(21-4)6-7-14(12)17/h6-9,15,18H,5,10H2,1-4H3
InChIKeyNHSGVPMJVLRCSK-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.49
Rot. Bonds6

About 2-(2-bromo-5-methoxyphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine

2-(2-bromo-5-methoxyphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine (PubChem CID 105151031) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
PubChem CID105151031
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
SMILESCCn1nc(C)cc1C(Cc1cc(OC)ccc1Br)NC
InChIInChI=1S/C16H22BrN3O/c1-5-20-16(8-11(2)19-20)15(18-3)10-12-9-13(21-4)6-7-14(12)17/h6-9,15,18H,5,10H2,1-4H3
InChIKeyNHSGVPMJVLRCSK-UHFFFAOYSA-N
XLogP3.49
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 65325112
2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
CID 115862130
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 105122368
2-(2-bromo-5-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 65325450
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115862414
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65363361
2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-3-methylphenyl)-N-methylethanamine
CID 107985010
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 65325546
2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
CID 115862271
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105150939
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107975481
N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methoxyphenyl)ethanamine
CID 105107708

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine (CID 105151031) is 2-(2-bromo-5-methoxyphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine is CCn1nc(C)cc1C(Cc1cc(OC)ccc1Br)NC.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine?
The InChIKey is NHSGVPMJVLRCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-5-20-16(8-11(2)19-20)15(18-3)10-12-9-13(21-4)6-7-14(12)17/h6-9,15,18H,5,10H2,1-4H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine?
2-(2-bromo-5-methoxyphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine has a molecular weight of 352.28 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine is sourced from PubChem (CID 105151031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).