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

C14H17BrFN3 — CID 105169370

IUPAC2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
SMILESCCc1cc(C(N)Cc2cc(F)cc(Br)c2)n(C)n1
InChIInChI=1S/C14H17BrFN3/c1-3-12-8-14(19(2)18-12)13(17)6-9-4-10(15)7-11(16)5-9/h4-5,7-8,13H,3,6,17H2,1-2H3
InChIKeyKUIAMNSVOMHNOJ-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.13
Rot. Bonds4

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

2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanamine (PubChem CID 105169370) has the molecular formula C14H17BrFN3 and a molecular weight of 326.21 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
PubChem CID105169370
Molecular FormulaC14H17BrFN3
Molecular Weight326.21 g/mol
Exact Mass325.06
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
SMILESCCc1cc(C(N)Cc2cc(F)cc(Br)c2)n(C)n1
InChIInChI=1S/C14H17BrFN3/c1-3-12-8-14(19(2)18-12)13(17)6-9-4-10(15)7-11(16)5-9/h4-5,7-8,13H,3,6,17H2,1-2H3
InChIKeyKUIAMNSVOMHNOJ-UHFFFAOYSA-N
XLogP3.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105169332
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine
CID 105083062
2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 79709215
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105171468
2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015725
1-(3-ethyl-1-methylpyrazol-5-yl)-5-methylhexan-1-amine
CID 105177018
2-(3-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 105015396
1-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine
CID 105138150
1-(2-bromo-5-fluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999266
2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine
CID 105015800
2-(3-bromo-5-fluorophenyl)-1-(furan-3-yl)ethanamine
CID 79709295
1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-en-1-amine
CID 105153055

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanamine (CID 105169370) is 2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanamine is CCc1cc(C(N)Cc2cc(F)cc(Br)c2)n(C)n1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanamine?
The InChIKey is KUIAMNSVOMHNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3/c1-3-12-8-14(19(2)18-12)13(17)6-9-4-10(15)7-11(16)5-9/h4-5,7-8,13H,3,6,17H2,1-2H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanamine?
2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanamine has a molecular weight of 326.21 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 105169370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).