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

C15H19BrFN3 — CID 102812659

IUPAC2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
SMILESCCc1nn(C)cc1C(Cc1cc(F)cc(Br)c1)NC
InChIInChI=1S/C15H19BrFN3/c1-4-14-13(9-20(3)19-14)15(18-2)7-10-5-11(16)8-12(17)6-10/h5-6,8-9,15,18H,4,7H2,1-3H3
InChIKeyGRXMURJJYYUZCU-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.39
Rot. Bonds5

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

2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine (PubChem CID 102812659) has the molecular formula C15H19BrFN3 and a molecular weight of 340.24 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
PubChem CID102812659
Molecular FormulaC15H19BrFN3
Molecular Weight340.24 g/mol
Exact Mass339.07
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
SMILESCCc1nn(C)cc1C(Cc1cc(F)cc(Br)c1)NC
InChIInChI=1S/C15H19BrFN3/c1-4-14-13(9-20(3)19-14)15(18-2)7-10-5-11(16)8-12(17)6-10/h5-6,8-9,15,18H,4,7H2,1-3H3
InChIKeyGRXMURJJYYUZCU-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812752
2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812202
2-(3-bromo-5-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105169332
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 102812738
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015619
2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine
CID 105015520
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 102812652
1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine
CID 102812156
2-(3-bromo-5-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 105015574
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 79709381
2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 79703082
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpent-3-yn-1-amine
CID 102812096

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine (CID 102812659) is 2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine is CCc1nn(C)cc1C(Cc1cc(F)cc(Br)c1)NC.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine?
The InChIKey is GRXMURJJYYUZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3/c1-4-14-13(9-20(3)19-14)15(18-2)7-10-5-11(16)8-12(17)6-10/h5-6,8-9,15,18H,4,7H2,1-3H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine?
2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine has a molecular weight of 340.24 g/mol, XLogP of 3.39, 5 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-4-yl)-N-methylethanamine is sourced from PubChem (CID 102812659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).