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

C16H21BrFN3 — CID 107953245

IUPAC1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
SMILESCCNC(Cc1cc(CC)nn1C)c1cccc(Br)c1F
InChIInChI=1S/C16H21BrFN3/c1-4-11-9-12(21(3)20-11)10-15(19-5-2)13-7-6-8-14(17)16(13)18/h6-9,15,19H,4-5,10H2,1-3H3
InChIKeySBLZGKOXZSHPHH-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.78
Rot. Bonds6

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

1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine (PubChem CID 107953245) has the molecular formula C16H21BrFN3 and a molecular weight of 354.27 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
PubChem CID107953245
Molecular FormulaC16H21BrFN3
Molecular Weight354.27 g/mol
Exact Mass353.09
IUPAC Name1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
SMILESCCNC(Cc1cc(CC)nn1C)c1cccc(Br)c1F
InChIInChI=1S/C16H21BrFN3/c1-4-11-9-12(21(3)20-11)10-15(19-5-2)13-7-6-8-14(17)16(13)18/h6-9,15,19H,4-5,10H2,1-3H3
InChIKeySBLZGKOXZSHPHH-UHFFFAOYSA-N
XLogP3.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-chlorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999176
1-(4-bromo-2-fluorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 114906672
[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105317184
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999243
1-(3-bromo-2-fluorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 107953609
N-[(3-bromo-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]ethanamine
CID 106647758
1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 106645460
1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 107946163
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 105160183
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105160170
N-[1-(3-bromo-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 107953506
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105160090

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine (CID 107953245) is 1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine is CCNC(Cc1cc(CC)nn1C)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine?
The InChIKey is SBLZGKOXZSHPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrFN3/c1-4-11-9-12(21(3)20-11)10-15(19-5-2)13-7-6-8-14(17)16(13)18/h6-9,15,19H,4-5,10H2,1-3H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine?
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine has a molecular weight of 354.27 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 107953245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).