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

C15H19BrFN3 — CID 102812202

IUPAC2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
SMILESCCc1nn(C)cc1C(Cc1cc(F)ccc1Br)NC
InChIInChI=1S/C15H19BrFN3/c1-4-14-12(9-20(3)19-14)15(18-2)8-10-7-11(17)5-6-13(10)16/h5-7,9,15,18H,4,8H2,1-3H3
InChIKeyRNIFJFBQGIFJGT-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.39
Rot. Bonds5

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

2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine (PubChem CID 102812202) has the molecular formula C15H19BrFN3 and a molecular weight of 340.24 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
PubChem CID102812202
Molecular FormulaC15H19BrFN3
Molecular Weight340.24 g/mol
Exact Mass339.07
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
SMILESCCc1nn(C)cc1C(Cc1cc(F)ccc1Br)NC
InChIInChI=1S/C15H19BrFN3/c1-4-14-12(9-20(3)19-14)15(18-2)8-10-7-11(17)5-6-13(10)16/h5-7,9,15,18H,4,8H2,1-3H3
InChIKeyRNIFJFBQGIFJGT-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-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812659
2-(3,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812752
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 102812738
1-(3-ethyl-1-methylpyrazol-4-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 102812002
2-(3-chloro-4-pyridinyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812500
2-(2-bromo-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 115843490
2-(2-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 64714177
2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylethanamine
CID 107974495
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200283
2-(2-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 115843550
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine (CID 102812202) is 2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine is CCc1nn(C)cc1C(Cc1cc(F)ccc1Br)NC.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine?
The InChIKey is RNIFJFBQGIFJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3/c1-4-14-12(9-20(3)19-14)15(18-2)8-10-7-11(17)5-6-13(10)16/h5-7,9,15,18H,4,8H2,1-3H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine?
2-(2-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-(2-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 102812202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).