1-(2,5-dibromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine

C13H15Br2N3 — CID 103030513

IUPAC1-(2,5-dibromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCn1nccc1CCC(N)c1cc(Br)ccc1Br
InChIInChI=1S/C13H15Br2N3/c1-18-10(6-7-17-18)3-5-13(16)11-8-9(14)2-4-12(11)15/h2,4,6-8,13H,3,5,16H2,1H3
InChIKeyKCIKCFSJQRHGFE-UHFFFAOYSA-N
MW373.09 g/mol
LogP3.58
Rot. Bonds4

About 1-(2,5-dibromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine

1-(2,5-dibromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103030513) has the molecular formula C13H15Br2N3 and a molecular weight of 373.09 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103030513
Molecular FormulaC13H15Br2N3
Molecular Weight373.09 g/mol
Exact Mass370.96
IUPAC Name1-(2,5-dibromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCn1nccc1CCC(N)c1cc(Br)ccc1Br
InChIInChI=1S/C13H15Br2N3/c1-18-10(6-7-17-18)3-5-13(16)11-8-9(14)2-4-12(11)15/h2,4,6-8,13H,3,5,16H2,1H3
InChIKeyKCIKCFSJQRHGFE-UHFFFAOYSA-N
XLogP3.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.09
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030747
[1-(2,4-dibromophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 107948596
1-(3,4-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103031043
1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030528
1-(2-chloro-3-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030836
1-(2,5-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103031048
(1S)-1-[5-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 102999821
3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 103009601
3-(2-methylpyrazol-3-yl)-1-pyrimidin-5-ylpropan-1-amine
CID 103030546
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
1-(3-chloro-2-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010352
(3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol
CID 131090689

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-(2,5-dibromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103030513) is 1-(2,5-dibromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(2,5-dibromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine is Cn1nccc1CCC(N)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is KCIKCFSJQRHGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N3/c1-18-10(6-7-17-18)3-5-13(16)11-8-9(14)2-4-12(11)15/h2,4,6-8,13H,3,5,16H2,1H3.
What are the key properties of 1-(2,5-dibromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-(2,5-dibromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 373.09 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103030513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).