1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine

C15H19BrClN3O — CID 104998494

IUPAC1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine
SMILESCCc1nn(C)c(CC(N)c2ccc(OC)c(Br)c2)c1Cl
InChIInChI=1S/C15H19BrClN3O/c1-4-12-15(17)13(20(2)19-12)8-11(18)9-5-6-14(21-3)10(16)7-9/h5-7,11H,4,8,18H2,1-3H3
InChIKeyAWPOAONTOIEKCD-UHFFFAOYSA-N
MW372.69 g/mol
LogP3.65
Rot. Bonds5

About 1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine

1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine (PubChem CID 104998494) has the molecular formula C15H19BrClN3O and a molecular weight of 372.69 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine
PubChem CID104998494
Molecular FormulaC15H19BrClN3O
Molecular Weight372.69 g/mol
Exact Mass371.04
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine
SMILESCCc1nn(C)c(CC(N)c2ccc(OC)c(Br)c2)c1Cl
InChIInChI=1S/C15H19BrClN3O/c1-4-12-15(17)13(20(2)19-12)8-11(18)9-5-6-14(21-3)10(16)7-9/h5-7,11H,4,8,18H2,1-3H3
InChIKeyAWPOAONTOIEKCD-UHFFFAOYSA-N
XLogP3.65
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.69
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanamine
CID 104998324
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103215560
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950787
(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine
CID 28881228
1-(5-bromo-2-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 114894574
1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 115567182
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105159798
1-(3-bromo-4-methoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002735
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79780623
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-bromo-5-methoxyphenyl)ethanamine
CID 105157550
1-(3-bromo-4-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003150
1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840124

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine (CID 104998494) is 1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine is CCc1nn(C)c(CC(N)c2ccc(OC)c(Br)c2)c1Cl.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine?
The InChIKey is AWPOAONTOIEKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClN3O/c1-4-12-15(17)13(20(2)19-12)8-11(18)9-5-6-14(21-3)10(16)7-9/h5-7,11H,4,8,18H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine?
1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine has a molecular weight of 372.69 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 104998494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).