1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methylhexan-2-amine

C13H24BrN3 — CID 79405447

IUPAC1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methylhexan-2-amine
SMILESCCCCC(Cc1c(Br)c(CC)nn1C)NC
InChIInChI=1S/C13H24BrN3/c1-5-7-8-10(15-3)9-12-13(14)11(6-2)16-17(12)4/h10,15H,5-9H2,1-4H3
InChIKeyYICGYANLMXZLRF-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.07
Rot. Bonds7

About 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methylhexan-2-amine

1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methylhexan-2-amine (PubChem CID 79405447) has the molecular formula C13H24BrN3 and a molecular weight of 302.26 g/mol. Its IUPAC name is 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methylhexan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methylhexan-2-amine
PubChem CID79405447
Molecular FormulaC13H24BrN3
Molecular Weight302.26 g/mol
Exact Mass301.12
IUPAC Name1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methylhexan-2-amine
SMILESCCCCC(Cc1c(Br)c(CC)nn1C)NC
InChIInChI=1S/C13H24BrN3/c1-5-7-8-10(15-3)9-12-13(14)11(6-2)16-17(12)4/h10,15H,5-9H2,1-4H3
InChIKeyYICGYANLMXZLRF-UHFFFAOYSA-N
XLogP3.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4-ethoxy-N-ethylbutan-2-amine
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[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-yl]hydrazine
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1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine
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1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N,3-dimethyl-4-methylsulfanylbutan-2-amine
CID 114221988
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4-methyl-N-propylhexan-2-amine
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[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpentan-2-yl]hydrazine
CID 105314862
4-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81017466
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-propan-2-ylhexan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methylhexan-2-amine?
The IUPAC name of 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methylhexan-2-amine (CID 79405447) is 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methylhexan-2-amine.
What is the SMILES notation for 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methylhexan-2-amine?
The canonical SMILES for 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methylhexan-2-amine is CCCCC(Cc1c(Br)c(CC)nn1C)NC.
What is the InChIKey of 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methylhexan-2-amine?
The InChIKey is YICGYANLMXZLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN3/c1-5-7-8-10(15-3)9-12-13(14)11(6-2)16-17(12)4/h10,15H,5-9H2,1-4H3.
What are the key properties of 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methylhexan-2-amine?
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methylhexan-2-amine has a molecular weight of 302.26 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methylhexan-2-amine is sourced from PubChem (CID 79405447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).