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

C14H24BrN3 — CID 79598464

IUPAC5-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-4-methylpent-3-en-1-amine
SMILESCCNCCC=C(C)Cc1c(Br)c(CC)nn1C
InChIInChI=1S/C14H24BrN3/c1-5-12-14(15)13(18(4)17-12)10-11(3)8-7-9-16-6-2/h8,16H,5-7,9-10H2,1-4H3
InChIKeyKPLFXWRHETUTIO-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.23
Rot. Bonds7

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

5-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-4-methylpent-3-en-1-amine (PubChem CID 79598464) has the molecular formula C14H24BrN3 and a molecular weight of 314.27 g/mol. Its IUPAC name is 5-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-4-methylpent-3-en-1-amine
PubChem CID79598464
Molecular FormulaC14H24BrN3
Molecular Weight314.27 g/mol
Exact Mass313.12
IUPAC Name5-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-4-methylpent-3-en-1-amine
SMILESCCNCCC=C(C)Cc1c(Br)c(CC)nn1C
InChIInChI=1S/C14H24BrN3/c1-5-12-14(15)13(18(4)17-12)10-11(3)8-7-9-16-6-2/h8,16H,5-7,9-10H2,1-4H3
InChIKeyKPLFXWRHETUTIO-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.23
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-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-4-methylpent-3-en-1-amine
CID 79598465
5-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79609362
N-[5-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methylpent-3-enyl]cyclopropanamine
CID 79607034
5-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methylpent-3-en-1-amine
CID 79599098
4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole
CID 81223578
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one
CID 114978046
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(dimethylamino)-3-methylbutan-2-one
CID 79047382
N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]ethanamine
CID 66024880
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-5-(methylamino)pentan-2-one
CID 116555735
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-hydroxybutan-2-one
CID 103451555
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-one
CID 79197859
2-[[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]phenol
CID 114331951

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-4-methylpent-3-en-1-amine?
The IUPAC name of 5-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-4-methylpent-3-en-1-amine (CID 79598464) is 5-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-4-methylpent-3-en-1-amine.
What is the SMILES notation for 5-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-4-methylpent-3-en-1-amine?
The canonical SMILES for 5-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-4-methylpent-3-en-1-amine is CCNCCC=C(C)Cc1c(Br)c(CC)nn1C.
What is the InChIKey of 5-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-4-methylpent-3-en-1-amine?
The InChIKey is KPLFXWRHETUTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3/c1-5-12-14(15)13(18(4)17-12)10-11(3)8-7-9-16-6-2/h8,16H,5-7,9-10H2,1-4H3.
What are the key properties of 5-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-4-methylpent-3-en-1-amine?
5-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-4-methylpent-3-en-1-amine has a molecular weight of 314.27 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-4-methylpent-3-en-1-amine is sourced from PubChem (CID 79598464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).