3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-bromophenyl)-N-methylpropan-1-amine

C15H19Br2N3 — CID 79449234

IUPAC3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-bromophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1c(Br)c(C)nn1C)c1ccccc1Br
InChIInChI=1S/C15H19Br2N3/c1-10-15(17)14(20(3)19-10)8-11(9-18-2)12-6-4-5-7-13(12)16/h4-7,11,18H,8-9H2,1-3H3
InChIKeyGPTOZBAXDDDZOL-UHFFFAOYSA-N
MW401.15 g/mol
LogP3.80
Rot. Bonds5

About 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-bromophenyl)-N-methylpropan-1-amine

3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-bromophenyl)-N-methylpropan-1-amine (PubChem CID 79449234) has the molecular formula C15H19Br2N3 and a molecular weight of 401.15 g/mol. Its IUPAC name is 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-bromophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-bromophenyl)-N-methylpropan-1-amine
PubChem CID79449234
Molecular FormulaC15H19Br2N3
Molecular Weight401.15 g/mol
Exact Mass398.99
IUPAC Name3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-bromophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1c(Br)c(C)nn1C)c1ccccc1Br
InChIInChI=1S/C15H19Br2N3/c1-10-15(17)14(20(3)19-10)8-11(9-18-2)12-6-4-5-7-13(12)16/h4-7,11,18H,8-9H2,1-3H3
InChIKeyGPTOZBAXDDDZOL-UHFFFAOYSA-N
XLogP3.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.15
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79434400
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CID 107953264
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine
CID 105317823
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-methylphenyl)ethyl]hydrazine
CID 107986094
3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(4-bromophenyl)propan-1-ol
CID 79438618
3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine
CID 114667287
4-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-phenylbutan-1-amine
CID 81027340
2-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-1-amine
CID 106869613
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)ethanol
CID 115814442
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)ethyl]hydrazine
CID 107103733
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115814606
4-bromo-5-(3-chloro-2-methyl-3-phenylpropyl)-1,3-dimethylpyrazole
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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-bromophenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-bromophenyl)-N-methylpropan-1-amine (CID 79449234) is 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-bromophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-bromophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-bromophenyl)-N-methylpropan-1-amine is CNCC(Cc1c(Br)c(C)nn1C)c1ccccc1Br.
What is the InChIKey of 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-bromophenyl)-N-methylpropan-1-amine?
The InChIKey is GPTOZBAXDDDZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2N3/c1-10-15(17)14(20(3)19-10)8-11(9-18-2)12-6-4-5-7-13(12)16/h4-7,11,18H,8-9H2,1-3H3.
What are the key properties of 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-bromophenyl)-N-methylpropan-1-amine?
3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-bromophenyl)-N-methylpropan-1-amine has a molecular weight of 401.15 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-bromophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 79449234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).