1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-methoxy-2-phenylethanamine

C16H22BrN3O — CID 114662155

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-methoxy-2-phenylethanamine
SMILESCCNC(c1c(Br)cnn1CC)C(OC)c1ccccc1
InChIInChI=1S/C16H22BrN3O/c1-4-18-14(15-13(17)11-19-20(15)5-2)16(21-3)12-9-7-6-8-10-12/h6-11,14,16,18H,4-5H2,1-3H3
InChIKeySIPJWLXEVSXBTE-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.70
Rot. Bonds7

About 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-methoxy-2-phenylethanamine

1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-methoxy-2-phenylethanamine (PubChem CID 114662155) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-methoxy-2-phenylethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-methoxy-2-phenylethanamine
PubChem CID114662155
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-methoxy-2-phenylethanamine
SMILESCCNC(c1c(Br)cnn1CC)C(OC)c1ccccc1
InChIInChI=1S/C16H22BrN3O/c1-4-18-14(15-13(17)11-19-20(15)5-2)16(21-3)12-9-7-6-8-10-12/h6-11,14,16,18H,4-5H2,1-3H3
InChIKeySIPJWLXEVSXBTE-UHFFFAOYSA-N
XLogP3.70
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.70
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
[1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethyl]hydrazine
CID 105279178
N-ethyl-2-methoxy-1-(1-methylpyrazol-4-yl)-2-phenylethanamine
CID 116773030
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine
CID 114647076
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-phenylbutyl]hydrazine
CID 105336192
N-ethyl-2-methoxy-2-phenyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 116773141
1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-phenylethanamine
CID 114662162
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethanol
CID 114645968
1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 116773064
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol
CID 114645960
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanamine
CID 114662146

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-methoxy-2-phenylethanamine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-methoxy-2-phenylethanamine (CID 114662155) is 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-methoxy-2-phenylethanamine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-methoxy-2-phenylethanamine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-methoxy-2-phenylethanamine is CCNC(c1c(Br)cnn1CC)C(OC)c1ccccc1.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-methoxy-2-phenylethanamine?
The InChIKey is SIPJWLXEVSXBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-4-18-14(15-13(17)11-19-20(15)5-2)16(21-3)12-9-7-6-8-10-12/h6-11,14,16,18H,4-5H2,1-3H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-methoxy-2-phenylethanamine?
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-methoxy-2-phenylethanamine has a molecular weight of 352.28 g/mol, XLogP of 3.70, 7 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)-N-ethyl-2-methoxy-2-phenylethanamine is sourced from PubChem (CID 114662155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).