5-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine

C17H30BrN3 — CID 79609362

IUPAC5-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCCc1nn(CC)c(CC(C)=CCCNCC(C)C)c1Br
InChIInChI=1S/C17H30BrN3/c1-6-15-17(18)16(21(7-2)20-15)11-14(5)9-8-10-19-12-13(3)4/h9,13,19H,6-8,10-12H2,1-5H3
InChIKeyDDFUEZDZTJSQAM-UHFFFAOYSA-N
MW356.35 g/mol
LogP4.35
Rot. Bonds9

About 5-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine

5-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine (PubChem CID 79609362) has the molecular formula C17H30BrN3 and a molecular weight of 356.35 g/mol. Its IUPAC name is 5-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine.

Molecular Properties

Compound Name5-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
PubChem CID79609362
Molecular FormulaC17H30BrN3
Molecular Weight356.35 g/mol
Exact Mass355.16
IUPAC Name5-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCCc1nn(CC)c(CC(C)=CCCNCC(C)C)c1Br
InChIInChI=1S/C17H30BrN3/c1-6-15-17(18)16(21(7-2)20-15)11-14(5)9-8-10-19-12-13(3)4/h9,13,19H,6-8,10-12H2,1-5H3
InChIKeyDDFUEZDZTJSQAM-UHFFFAOYSA-N
XLogP4.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 54.35
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

N-[5-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methylpent-3-enyl]cyclopropanamine
CID 79607034
5-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-4-methylpent-3-en-1-amine
CID 79598464
5-(4-ethylphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607637
N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83142524
5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-en-1-amine
CID 79593134
5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-methylpent-3-en-1-amine
CID 79592019
4-amino-1-(4-bromo-1,3-diethylpyrazol-5-yl)pentan-2-one
CID 116555845
4-methyl-5-(1-methylindazol-3-yl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79609349
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethylpent-3-en-2-one
CID 103447397
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-one
CID 79197154
4-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81017466
4-bromo-1,3-diethyl-5-(3-methylbutan-2-ylsulfanylmethyl)pyrazole
CID 107754260

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The IUPAC name of 5-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine (CID 79609362) is 5-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine.
What is the SMILES notation for 5-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The canonical SMILES for 5-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine is CCc1nn(CC)c(CC(C)=CCCNCC(C)C)c1Br.
What is the InChIKey of 5-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The InChIKey is DDFUEZDZTJSQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BrN3/c1-6-15-17(18)16(21(7-2)20-15)11-14(5)9-8-10-19-12-13(3)4/h9,13,19H,6-8,10-12H2,1-5H3.
What are the key properties of 5-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
5-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine has a molecular weight of 356.35 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine is sourced from PubChem (CID 79609362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).