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

C13H24BrN3 — CID 105000170

IUPAC1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N,3-dimethylhexan-2-amine
SMILESCCCC(C)C(Cc1c(Br)c(C)nn1C)NC
InChIInChI=1S/C13H24BrN3/c1-6-7-9(2)11(15-4)8-12-13(14)10(3)16-17(12)5/h9,11,15H,6-8H2,1-5H3
InChIKeyXOMUSNMBGZVICO-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.06
Rot. Bonds6

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

1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N,3-dimethylhexan-2-amine (PubChem CID 105000170) has the molecular formula C13H24BrN3 and a molecular weight of 302.26 g/mol. Its IUPAC name is 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N,3-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N,3-dimethylhexan-2-amine
PubChem CID105000170
Molecular FormulaC13H24BrN3
Molecular Weight302.26 g/mol
Exact Mass301.12
IUPAC Name1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N,3-dimethylhexan-2-amine
SMILESCCCC(C)C(Cc1c(Br)c(C)nn1C)NC
InChIInChI=1S/C13H24BrN3/c1-6-7-9(2)11(15-4)8-12-13(14)10(3)16-17(12)5/h9,11,15H,6-8H2,1-5H3
InChIKeyXOMUSNMBGZVICO-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole
CID 66049822
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N,3-dimethyl-4-methylsulfanylbutan-2-amine
CID 114221988
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-N-propylhexan-2-amine
CID 104996853
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methyl-3-propylhexan-2-amine
CID 104996529
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cyclopropyl-N-ethylbutan-2-amine
CID 105000305
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105160975
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-5-methylhexan-1-amine
CID 113287507
4-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81016090
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyloctan-2-amine
CID 105000232
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine
CID 79058069
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 105000202
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093448

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N,3-dimethylhexan-2-amine?
The IUPAC name of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N,3-dimethylhexan-2-amine (CID 105000170) is 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N,3-dimethylhexan-2-amine.
What is the SMILES notation for 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N,3-dimethylhexan-2-amine?
The canonical SMILES for 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N,3-dimethylhexan-2-amine is CCCC(C)C(Cc1c(Br)c(C)nn1C)NC.
What is the InChIKey of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N,3-dimethylhexan-2-amine?
The InChIKey is XOMUSNMBGZVICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN3/c1-6-7-9(2)11(15-4)8-12-13(14)10(3)16-17(12)5/h9,11,15H,6-8H2,1-5H3.
What are the key properties of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N,3-dimethylhexan-2-amine?
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N,3-dimethylhexan-2-amine has a molecular weight of 302.26 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N,3-dimethylhexan-2-amine is sourced from PubChem (CID 105000170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).