2-(3-bromophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine

C13H16BrN3 — CID 114219129

IUPAC2-(3-bromophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2cccc(Br)c2)nn1C
InChIInChI=1S/C13H16BrN3/c1-9-6-13(16-17(9)2)12(15)8-10-4-3-5-11(14)7-10/h3-7,12H,8,15H2,1-2H3
InChIKeyNJDPJZLGCDNRTA-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.73
Rot. Bonds3

About 2-(3-bromophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine

2-(3-bromophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine (PubChem CID 114219129) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine
PubChem CID114219129
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name2-(3-bromophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2cccc(Br)c2)nn1C
InChIInChI=1S/C13H16BrN3/c1-9-6-13(16-17(9)2)12(15)8-10-4-3-5-11(14)7-10/h3-7,12H,8,15H2,1-2H3
InChIKeyNJDPJZLGCDNRTA-UHFFFAOYSA-N
XLogP2.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine
CID 114255323
2-(3-bromophenyl)-1-pyrimidin-4-ylethanamine
CID 63987893
2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 60820005
2-(3-bromophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
CID 102811982
[2-(3-bromophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105284541
2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 60819321
2-(5-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine
CID 114220113
2-(3-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanamine
CID 81155733
2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 55225085
2-(3-bromophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107973641
1-(3-bromophenyl)butan-2-amine;hydrochloride
CID 170888459
2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine
CID 60820505

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine (CID 114219129) is 2-(3-bromophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine is Cc1cc(C(N)Cc2cccc(Br)c2)nn1C.
What is the InChIKey of 2-(3-bromophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine?
The InChIKey is NJDPJZLGCDNRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-9-6-13(16-17(9)2)12(15)8-10-4-3-5-11(14)7-10/h3-7,12H,8,15H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine?
2-(3-bromophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine has a molecular weight of 294.20 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 114219129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).