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

C14H16Br2FN3 — CID 66423871

IUPAC2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-bromo-5-fluorophenyl)ethanamine
SMILESCCn1nc(C)c(Br)c1CC(N)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H16Br2FN3/c1-3-20-13(14(16)8(2)19-20)7-12(18)9-4-10(15)6-11(17)5-9/h4-6,12H,3,7,18H2,1-2H3
InChIKeyFJUWYZTZHRPMQL-UHFFFAOYSA-N
MW405.11 g/mol
LogP4.12
Rot. Bonds4

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

2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-bromo-5-fluorophenyl)ethanamine (PubChem CID 66423871) has the molecular formula C14H16Br2FN3 and a molecular weight of 405.11 g/mol. Its IUPAC name is 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-bromo-5-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-bromo-5-fluorophenyl)ethanamine
PubChem CID66423871
Molecular FormulaC14H16Br2FN3
Molecular Weight405.11 g/mol
Exact Mass402.97
IUPAC Name2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-bromo-5-fluorophenyl)ethanamine
SMILESCCn1nc(C)c(Br)c1CC(N)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H16Br2FN3/c1-3-20-13(14(16)8(2)19-20)7-12(18)9-4-10(15)6-11(17)5-9/h4-6,12H,3,7,18H2,1-2H3
InChIKeyFJUWYZTZHRPMQL-UHFFFAOYSA-N
XLogP4.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.11
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-bromo-4-methylphenyl)ethanamine
CID 104998153
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-5-methylphenyl)ethanamine
CID 104998312
3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(3-fluorophenyl)propan-1-amine
CID 79440988
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-3-methylphenyl)ethanamine
CID 107985117
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503033
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 104998174
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877854
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]propane-1,3-diol
CID 79450163
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-propylhexan-2-amine
CID 104998240
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 105002486
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanol
CID 115812822
(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol
CID 66514747

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-bromo-5-fluorophenyl)ethanamine?
The IUPAC name of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-bromo-5-fluorophenyl)ethanamine (CID 66423871) is 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-bromo-5-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-bromo-5-fluorophenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-bromo-5-fluorophenyl)ethanamine is CCn1nc(C)c(Br)c1CC(N)c1cc(F)cc(Br)c1.
What is the InChIKey of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-bromo-5-fluorophenyl)ethanamine?
The InChIKey is FJUWYZTZHRPMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2FN3/c1-3-20-13(14(16)8(2)19-20)7-12(18)9-4-10(15)6-11(17)5-9/h4-6,12H,3,7,18H2,1-2H3.
What are the key properties of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-bromo-5-fluorophenyl)ethanamine?
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-bromo-5-fluorophenyl)ethanamine has a molecular weight of 405.11 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-bromo-5-fluorophenyl)ethanamine is sourced from PubChem (CID 66423871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).