4-(2-methoxyethenyl)-1,2-dimethylpyrazol-2-ium-5-amine

C8H14N3O+ — CID 123864326

IUPAC4-(2-methoxyethenyl)-1,2-dimethylpyrazol-2-ium-5-amine
SMILESCOC=Cc1c[n+](C)n(C)c1N
InChIInChI=1S/C8H13N3O/c1-10-6-7(4-5-12-3)8(9)11(10)2/h4-6,9H,1-3H3/p+1
InChIKeyQEJCYQSTJRNNDY-UHFFFAOYSA-O
MW168.22 g/mol
LogP0.05
Rot. Bonds2

About 4-(2-methoxyethenyl)-1,2-dimethylpyrazol-2-ium-5-amine

4-(2-methoxyethenyl)-1,2-dimethylpyrazol-2-ium-5-amine (PubChem CID 123864326) has the molecular formula C8H14N3O+ and a molecular weight of 168.22 g/mol. Its IUPAC name is 4-(2-methoxyethenyl)-1,2-dimethylpyrazol-2-ium-5-amine.

Molecular Properties

Compound Name4-(2-methoxyethenyl)-1,2-dimethylpyrazol-2-ium-5-amine
PubChem CID123864326
Molecular FormulaC8H14N3O+
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Name4-(2-methoxyethenyl)-1,2-dimethylpyrazol-2-ium-5-amine
SMILESCOC=Cc1c[n+](C)n(C)c1N
InChIInChI=1S/C8H13N3O/c1-10-6-7(4-5-12-3)8(9)11(10)2/h4-6,9H,1-3H3/p+1
InChIKeyQEJCYQSTJRNNDY-UHFFFAOYSA-O
XLogP0.05
TPSA44.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-methyl-1-[(E)-2-ethoxyvinyl]pyrazole
CID 19089117
1-(2-Ethoxyethenyl)-4-methylpyrazol-5-amine
CID 53681546
4-[(E)-2-methoxyethenyl]-1-methylpyrazol-3-amine
CID 89500362
4-ethenyl-N,1-dimethylpyrazol-5-amine
CID 123431681
4-(2-methoxyvinyl)-1-methyl-1H-pyrazol-3-amine
CID 123776242
4-Ethenyl-1-methylpyrazol-3-amine
CID 124003987
4-(1-Methoxyethenyl)-1-methylpyrazol-5-amine
CID 134240106
8-Ethenyl-4-methyl-1,4-dihydropyrazolo[5,1-c][1,2,4]triazine;methoxyethane
CID 142866794
ethane;N-(4-ethenyl-1-methylpyrazol-5-yl)methanimine
CID 143245811
ethane;(Z)-N-(4-ethenyl-1-methylpyrazol-5-yl)ethanimine
CID 143895935
N-[1,4-bis(ethenyl)pyrazol-5-yl]methanimine;ethane
CID 144392806
4-methyl-1-[(Z)-2-methylbut-1-enyl]pyrazol-5-amine
CID 146499224

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethenyl)-1,2-dimethylpyrazol-2-ium-5-amine?
The IUPAC name of 4-(2-methoxyethenyl)-1,2-dimethylpyrazol-2-ium-5-amine (CID 123864326) is 4-(2-methoxyethenyl)-1,2-dimethylpyrazol-2-ium-5-amine.
What is the SMILES notation for 4-(2-methoxyethenyl)-1,2-dimethylpyrazol-2-ium-5-amine?
The canonical SMILES for 4-(2-methoxyethenyl)-1,2-dimethylpyrazol-2-ium-5-amine is COC=Cc1c[n+](C)n(C)c1N.
What is the InChIKey of 4-(2-methoxyethenyl)-1,2-dimethylpyrazol-2-ium-5-amine?
The InChIKey is QEJCYQSTJRNNDY-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H13N3O/c1-10-6-7(4-5-12-3)8(9)11(10)2/h4-6,9H,1-3H3/p+1.
What are the key properties of 4-(2-methoxyethenyl)-1,2-dimethylpyrazol-2-ium-5-amine?
4-(2-methoxyethenyl)-1,2-dimethylpyrazol-2-ium-5-amine has a molecular weight of 168.22 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethenyl)-1,2-dimethylpyrazol-2-ium-5-amine is sourced from PubChem (CID 123864326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).