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

C14H17BrClN3 — CID 104999104

IUPAC1-(4-bromo-2-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
SMILESCCc1cc(CC(N)c2ccc(Br)cc2Cl)n(C)n1
InChIInChI=1S/C14H17BrClN3/c1-3-10-7-11(19(2)18-10)8-14(17)12-5-4-9(15)6-13(12)16/h4-7,14H,3,8,17H2,1-2H3
InChIKeyBKHMDRPWMJFZSB-UHFFFAOYSA-N
MW342.67 g/mol
LogP3.64
Rot. Bonds4

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

1-(4-bromo-2-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine (PubChem CID 104999104) has the molecular formula C14H17BrClN3 and a molecular weight of 342.67 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
PubChem CID104999104
Molecular FormulaC14H17BrClN3
Molecular Weight342.67 g/mol
Exact Mass341.03
IUPAC Name1-(4-bromo-2-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
SMILESCCc1cc(CC(N)c2ccc(Br)cc2Cl)n(C)n1
InChIInChI=1S/C14H17BrClN3/c1-3-10-7-11(19(2)18-10)8-14(17)12-5-4-9(15)6-13(12)16/h4-7,14H,3,8,17H2,1-2H3
InChIKeyBKHMDRPWMJFZSB-UHFFFAOYSA-N
XLogP3.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.67
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-fluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999266
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999243
[1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 107948325
1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 107946163
(1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride
CID 171204059
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylsulfanylphenyl)ethanamine
CID 104999307
1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
CID 102946267
1-(4-bromo-2-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanamine
CID 105002384
1-(4-bromophenyl)sulfanyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
CID 66057081
1-(4-bromo-2-fluorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 114906672
[1-(2,6-dichlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine
CID 105209868
1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012373

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine (CID 104999104) is 1-(4-bromo-2-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine is CCc1cc(CC(N)c2ccc(Br)cc2Cl)n(C)n1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine?
The InChIKey is BKHMDRPWMJFZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3/c1-3-10-7-11(19(2)18-10)8-14(17)12-5-4-9(15)6-13(12)16/h4-7,14H,3,8,17H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine?
1-(4-bromo-2-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine has a molecular weight of 342.67 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 104999104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).