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

C14H16BrClFN3 — CID 114894574

IUPAC1-(5-bromo-2-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine
SMILESCCc1nn(C)c(CC(N)c2cc(Br)ccc2F)c1Cl
InChIInChI=1S/C14H16BrClFN3/c1-3-12-14(16)13(20(2)19-12)7-11(18)9-6-8(15)4-5-10(9)17/h4-6,11H,3,7,18H2,1-2H3
InChIKeyKAMAHUGUHRGEBY-UHFFFAOYSA-N
MW360.66 g/mol
LogP3.78
Rot. Bonds4

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

1-(5-bromo-2-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine (PubChem CID 114894574) has the molecular formula C14H16BrClFN3 and a molecular weight of 360.66 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine
PubChem CID114894574
Molecular FormulaC14H16BrClFN3
Molecular Weight360.66 g/mol
Exact Mass359.02
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine
SMILESCCc1nn(C)c(CC(N)c2cc(Br)ccc2F)c1Cl
InChIInChI=1S/C14H16BrClFN3/c1-3-12-14(16)13(20(2)19-12)7-11(18)9-6-8(15)4-5-10(9)17/h4-6,11H,3,7,18H2,1-2H3
InChIKeyKAMAHUGUHRGEBY-UHFFFAOYSA-N
XLogP3.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.66
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3,4-difluorophenyl)propan-2-amine
CID 104998510
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104998333
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946154
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanamine
CID 104998324
1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104998494
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79780623
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-3-fluorophenyl)ethyl]hydrazine
CID 105316835
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanamine
CID 104994662
1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine
CID 105001455
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105159798
1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114894465
1-(2-amino-5-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 82684546

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine (CID 114894574) is 1-(5-bromo-2-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine is CCc1nn(C)c(CC(N)c2cc(Br)ccc2F)c1Cl.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine?
The InChIKey is KAMAHUGUHRGEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClFN3/c1-3-12-14(16)13(20(2)19-12)7-11(18)9-6-8(15)4-5-10(9)17/h4-6,11H,3,7,18H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine?
1-(5-bromo-2-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine has a molecular weight of 360.66 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 114894574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).