5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-propylpent-3-en-1-amine

C14H24BrN3 — CID 79591588

IUPAC5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCCC=CCc1c(Br)c(C)nn1CC
InChIInChI=1S/C14H24BrN3/c1-4-10-16-11-8-6-7-9-13-14(15)12(3)17-18(13)5-2/h6-7,16H,4-5,8-11H2,1-3H3
InChIKeyNQAJSSOOMJGVRC-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.46
Rot. Bonds8

About 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-propylpent-3-en-1-amine

5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-propylpent-3-en-1-amine (PubChem CID 79591588) has the molecular formula C14H24BrN3 and a molecular weight of 314.27 g/mol. Its IUPAC name is 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-propylpent-3-en-1-amine
PubChem CID79591588
Molecular FormulaC14H24BrN3
Molecular Weight314.27 g/mol
Exact Mass313.12
IUPAC Name5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCCC=CCc1c(Br)c(C)nn1CC
InChIInChI=1S/C14H24BrN3/c1-4-10-16-11-8-6-7-9-13-14(15)12(3)17-18(13)5-2/h6-7,16H,4-5,8-11H2,1-3H3
InChIKeyNQAJSSOOMJGVRC-UHFFFAOYSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethylpent-3-en-1-amine
CID 79590293
5-(1-ethylindazol-3-yl)-N-propylpent-3-en-1-amine
CID 79591595
4-chloro-5-(5-chloropent-2-enyl)-1-ethyl-3-methylpyrazole
CID 79603685
5-bromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pentan-1-amine
CID 107320488
(E)-5-(5-bromo-2-pyridinyl)-N-propylpent-3-en-1-amine
CID 104813629
N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-methylhexan-1-amine
CID 113287461
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-propyloctan-2-amine
CID 104998184
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfonyl-N-propylpropan-2-amine
CID 115649886
N-[[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83102031
N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899626
2,6-dibromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]aniline
CID 107598752
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82724430

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-propylpent-3-en-1-amine?
The IUPAC name of 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-propylpent-3-en-1-amine (CID 79591588) is 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-propylpent-3-en-1-amine.
What is the SMILES notation for 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-propylpent-3-en-1-amine?
The canonical SMILES for 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-propylpent-3-en-1-amine is CCCNCCC=CCc1c(Br)c(C)nn1CC.
What is the InChIKey of 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-propylpent-3-en-1-amine?
The InChIKey is NQAJSSOOMJGVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3/c1-4-10-16-11-8-6-7-9-13-14(15)12(3)17-18(13)5-2/h6-7,16H,4-5,8-11H2,1-3H3.
What are the key properties of 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-propylpent-3-en-1-amine?
5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-propylpent-3-en-1-amine has a molecular weight of 314.27 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-propylpent-3-en-1-amine is sourced from PubChem (CID 79591588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).