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

C12H20BrN3 — CID 79593134

IUPAC5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-en-1-amine
SMILESCCn1nc(C)c(Br)c1CC(C)=CCCN
InChIInChI=1S/C12H20BrN3/c1-4-16-11(12(13)10(3)15-16)8-9(2)6-5-7-14/h6H,4-5,7-8,14H2,1-3H3
InChIKeyFRFATJQNRAPKOR-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.81
Rot. Bonds5

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

5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-en-1-amine (PubChem CID 79593134) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-en-1-amine
PubChem CID79593134
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC Name5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-en-1-amine
SMILESCCn1nc(C)c(Br)c1CC(C)=CCCN
InChIInChI=1S/C12H20BrN3/c1-4-16-11(12(13)10(3)15-16)8-9(2)6-5-7-14/h6H,4-5,7-8,14H2,1-3H3
InChIKeyFRFATJQNRAPKOR-UHFFFAOYSA-N
XLogP2.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-methylpent-3-en-1-amine
CID 79592019
4-chloro-5-(5-chloro-2-methylpent-2-enyl)-1-ethyl-3-methylpyrazole
CID 79602947
3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-one
CID 112574212
1-(1-aminocyclopropyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 116576526
7-amino-1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-5-ethylheptan-2-one
CID 116578138
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-one
CID 79198209
N-[5-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-enyl]cyclopropanamine
CID 79606791
N-[5-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methylpent-3-enyl]cyclopropanamine
CID 79607034
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methyl-3-methylsulfonylbutan-2-one
CID 114980136
5-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79609362
4-amino-2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]butanoic acid
CID 104681049
3-amino-1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-one
CID 116593988

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-en-1-amine?
The IUPAC name of 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-en-1-amine (CID 79593134) is 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-en-1-amine.
What is the SMILES notation for 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-en-1-amine?
The canonical SMILES for 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-en-1-amine is CCn1nc(C)c(Br)c1CC(C)=CCCN.
What is the InChIKey of 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-en-1-amine?
The InChIKey is FRFATJQNRAPKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-4-16-11(12(13)10(3)15-16)8-9(2)6-5-7-14/h6H,4-5,7-8,14H2,1-3H3.
What are the key properties of 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-en-1-amine?
5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-en-1-amine has a molecular weight of 286.22 g/mol, XLogP of 2.81, 5 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)-4-methylpent-3-en-1-amine is sourced from PubChem (CID 79593134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).