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

C15H28BrN3 — CID 104998240

IUPAC1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-propylhexan-2-amine
SMILESCCCC(CCC)C(N)Cc1c(Br)c(C)nn1CC
InChIInChI=1S/C15H28BrN3/c1-5-8-12(9-6-2)13(17)10-14-15(16)11(4)18-19(14)7-3/h12-13H,5-10,17H2,1-4H3
InChIKeyWAPKGGRILWPRDK-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.06
Rot. Bonds8

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

1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-propylhexan-2-amine (PubChem CID 104998240) has the molecular formula C15H28BrN3 and a molecular weight of 330.31 g/mol. Its IUPAC name is 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-propylhexan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-propylhexan-2-amine
PubChem CID104998240
Molecular FormulaC15H28BrN3
Molecular Weight330.31 g/mol
Exact Mass329.15
IUPAC Name1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-propylhexan-2-amine
SMILESCCCC(CCC)C(N)Cc1c(Br)c(C)nn1CC
InChIInChI=1S/C15H28BrN3/c1-5-8-12(9-6-2)13(17)10-14-15(16)11(4)18-19(14)7-3/h12-13H,5-10,17H2,1-4H3
InChIKeyWAPKGGRILWPRDK-UHFFFAOYSA-N
XLogP4.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methoxy-4-methylpentan-2-amine
CID 116719727
4-bromo-5-[3-bromo-2-(bromomethyl)propyl]-1-ethyl-3-methylpyrazole
CID 79453099
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]propane-1,3-diol
CID 79450163
4-amino-2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]butanoic acid
CID 104681049
4-bromo-5-[2-(chloromethyl)-4-methylpentyl]-1-ethyl-3-methylpyrazole
CID 66033406
[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine
CID 105206281
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-3-methylphenyl)ethanamine
CID 107985117
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-bromo-4-methylphenyl)ethanamine
CID 104998153
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine
CID 105316719
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-5-methylphenyl)ethanamine
CID 104998312
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfonyl-N-propylpropan-2-amine
CID 115649886
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-propyloctan-2-amine
CID 104998184

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-propylhexan-2-amine?
The IUPAC name of 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-propylhexan-2-amine (CID 104998240) is 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-propylhexan-2-amine.
What is the SMILES notation for 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-propylhexan-2-amine?
The canonical SMILES for 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-propylhexan-2-amine is CCCC(CCC)C(N)Cc1c(Br)c(C)nn1CC.
What is the InChIKey of 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-propylhexan-2-amine?
The InChIKey is WAPKGGRILWPRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BrN3/c1-5-8-12(9-6-2)13(17)10-14-15(16)11(4)18-19(14)7-3/h12-13H,5-10,17H2,1-4H3.
What are the key properties of 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-propylhexan-2-amine?
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-propylhexan-2-amine has a molecular weight of 330.31 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-propylhexan-2-amine is sourced from PubChem (CID 104998240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).