2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine

C15H20BrN3O — CID 114650079

IUPAC2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
SMILESCCn1ncc(OC)c1C(Cc1ccccc1Br)NC
InChIInChI=1S/C15H20BrN3O/c1-4-19-15(14(20-3)10-18-19)13(17-2)9-11-7-5-6-8-12(11)16/h5-8,10,13,17H,4,9H2,1-3H3
InChIKeyJUWBFXOBTVFKHK-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.18
Rot. Bonds6

About 2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine

2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine (PubChem CID 114650079) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
PubChem CID114650079
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
SMILESCCn1ncc(OC)c1C(Cc1ccccc1Br)NC
InChIInChI=1S/C15H20BrN3O/c1-4-19-15(14(20-3)10-18-19)13(17-2)9-11-7-5-6-8-12(11)16/h5-8,10,13,17H,4,9H2,1-3H3
InChIKeyJUWBFXOBTVFKHK-UHFFFAOYSA-N
XLogP3.18
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 114648328
2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine
CID 114650058
2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
CID 114649074
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-phenoxyethanamine
CID 114649623
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 114647418
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-methylsulfanylethanamine
CID 114649759
2-(2-bromophenyl)-1-(2-ethylpyrazol-3-yl)-N-methylethanamine
CID 63976182
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine
CID 114648521
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105186575
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine
CID 105047878
2-(2-bromophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine
CID 105065184
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105186645

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine (CID 114650079) is 2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine is CCn1ncc(OC)c1C(Cc1ccccc1Br)NC.
What is the InChIKey of 2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine?
The InChIKey is JUWBFXOBTVFKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-4-19-15(14(20-3)10-18-19)13(17-2)9-11-7-5-6-8-12(11)16/h5-8,10,13,17H,4,9H2,1-3H3.
What are the key properties of 2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine?
2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine has a molecular weight of 338.25 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 114650079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).