2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine

C14H18BrN3O — CID 114650058

IUPAC2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine
SMILESCCn1ncc(OC)c1C(N)Cc1ccccc1Br
InChIInChI=1S/C14H18BrN3O/c1-3-18-14(13(19-2)9-17-18)12(16)8-10-6-4-5-7-11(10)15/h4-7,9,12H,3,8,16H2,1-2H3
InChIKeyOQFFHBCABCTUFH-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.92
Rot. Bonds5

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

2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine (PubChem CID 114650058) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine
PubChem CID114650058
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine
SMILESCCn1ncc(OC)c1C(N)Cc1ccccc1Br
InChIInChI=1S/C14H18BrN3O/c1-3-18-14(13(19-2)9-17-18)12(16)8-10-6-4-5-7-11(10)15/h4-7,9,12H,3,8,16H2,1-2H3
InChIKeyOQFFHBCABCTUFH-UHFFFAOYSA-N
XLogP2.92
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
CID 114650079
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-phenylbutan-1-amine
CID 105186612
2-(2-bromophenyl)-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanamine
CID 114650067
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 114648152
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-bromophenyl)ethanamine
CID 114650069
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 114648328
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methylphenyl)ethanol
CID 114643227
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-ethylsulfanylethanamine
CID 114653438
1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine
CID 105047983
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2-methylphenyl)ethanamine
CID 114648841
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine
CID 105047700
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105186707

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine (CID 114650058) is 2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine is CCn1ncc(OC)c1C(N)Cc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine?
The InChIKey is OQFFHBCABCTUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-3-18-14(13(19-2)9-17-18)12(16)8-10-6-4-5-7-11(10)15/h4-7,9,12H,3,8,16H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine?
2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine has a molecular weight of 324.22 g/mol, XLogP of 2.92, 5 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)ethanamine is sourced from PubChem (CID 114650058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).