N-[1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine

C17H24BrN3 — CID 104996088

IUPACN-[1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)nn1C)c1ccc(C)cc1Br
InChIInChI=1S/C17H24BrN3/c1-5-8-19-17(11-14-10-13(3)20-21(14)4)15-7-6-12(2)9-16(15)18/h6-7,9-10,17,19H,5,8,11H2,1-4H3
InChIKeyFRRKNUJCUQJLNE-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.08
Rot. Bonds6

About N-[1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine

N-[1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 104996088) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is N-[1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID104996088
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC NameN-[1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)nn1C)c1ccc(C)cc1Br
InChIInChI=1S/C17H24BrN3/c1-5-8-19-17(11-14-10-13(3)20-21(14)4)15-7-6-12(2)9-16(15)18/h6-7,9-10,17,19H,5,8,11H2,1-4H3
InChIKeyFRRKNUJCUQJLNE-UHFFFAOYSA-N
XLogP4.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 104996153
N-[1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 104996392
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 81270125
1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002645
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 104996311
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106792395
N-[1-(3,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 81494950
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105158598
N-[1-(3,5-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 104996379
N-[2-(2,5-dimethylpyrazol-3-yl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105158604
N-[1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 104996086
1-(2-bromo-4-methylphenyl)-N-propyloctan-1-amine
CID 115832077

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine (CID 104996088) is N-[1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(C)nn1C)c1ccc(C)cc1Br.
What is the InChIKey of N-[1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is FRRKNUJCUQJLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-5-8-19-17(11-14-10-13(3)20-21(14)4)15-7-6-12(2)9-16(15)18/h6-7,9-10,17,19H,5,8,11H2,1-4H3.
What are the key properties of N-[1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine?
N-[1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 350.30 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104996088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).