1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethanamine

C15H20BrN3O2 — CID 114648152

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethanamine
SMILESCCn1ncc(Br)c1C(N)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H20BrN3O2/c1-4-19-15(11(16)9-18-19)12(17)7-10-5-6-13(20-2)14(8-10)21-3/h5-6,8-9,12H,4,7,17H2,1-3H3
InChIKeyFLOSKDLKKKGZLP-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.93
Rot. Bonds6

About 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethanamine

1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethanamine (PubChem CID 114648152) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethanamine
PubChem CID114648152
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethanamine
SMILESCCn1ncc(Br)c1C(N)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H20BrN3O2/c1-4-19-15(11(16)9-18-19)12(17)7-10-5-6-13(20-2)14(8-10)21-3/h5-6,8-9,12H,4,7,17H2,1-3H3
InChIKeyFLOSKDLKKKGZLP-UHFFFAOYSA-N
XLogP2.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine
CID 114646510
[1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethyl]hydrazine
CID 105203934
2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine
CID 114650058
1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine
CID 114657499
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanamine
CID 105040397
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(6-methoxy-3-pyridinyl)ethanol
CID 114644859
(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine
CID 105040106
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 114650151
(4-bromo-1-ethylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol
CID 114636384
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanol
CID 114643089
1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine
CID 114648404
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine
CID 105040325

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethanamine (CID 114648152) is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethanamine is CCn1ncc(Br)c1C(N)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethanamine?
The InChIKey is FLOSKDLKKKGZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-4-19-15(11(16)9-18-19)12(17)7-10-5-6-13(20-2)14(8-10)21-3/h5-6,8-9,12H,4,7,17H2,1-3H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethanamine?
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethanamine has a molecular weight of 354.25 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 114648152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).