1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-phenylethanamine

C15H20BrN3O — CID 114662162

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-phenylethanamine
SMILESCCOC(c1ccccc1)C(N)c1c(Br)cnn1CC
InChIInChI=1S/C15H20BrN3O/c1-3-19-14(12(16)10-18-19)13(17)15(20-4-2)11-8-6-5-7-9-11/h5-10,13,15H,3-4,17H2,1-2H3
InChIKeyOPANPSQJORZUDA-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.44
Rot. Bonds6

About 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-phenylethanamine

1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-phenylethanamine (PubChem CID 114662162) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-phenylethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-phenylethanamine
PubChem CID114662162
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-phenylethanamine
SMILESCCOC(c1ccccc1)C(N)c1c(Br)cnn1CC
InChIInChI=1S/C15H20BrN3O/c1-3-19-14(12(16)10-18-19)13(17)15(20-4-2)11-8-6-5-7-9-11/h5-10,13,15H,3-4,17H2,1-2H3
InChIKeyOPANPSQJORZUDA-UHFFFAOYSA-N
XLogP3.44
TPSA53.07 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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol
CID 114645963
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanamine
CID 114662146
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 114662155
1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine
CID 114648404
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine
CID 114646651
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-phenylbutyl]hydrazine
CID 105336192
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine
CID 114646776
1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine
CID 114661598
2-ethoxy-1-(1-methylimidazol-2-yl)-2-phenylethanamine
CID 116773334
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475129
[1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethyl]hydrazine
CID 105279178

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-phenylethanamine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-phenylethanamine (CID 114662162) is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-phenylethanamine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-phenylethanamine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-phenylethanamine is CCOC(c1ccccc1)C(N)c1c(Br)cnn1CC.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-phenylethanamine?
The InChIKey is OPANPSQJORZUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-3-19-14(12(16)10-18-19)13(17)15(20-4-2)11-8-6-5-7-9-11/h5-10,13,15H,3-4,17H2,1-2H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-phenylethanamine?
1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-phenylethanamine has a molecular weight of 338.25 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-phenylethanamine is sourced from PubChem (CID 114662162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).