4-(2-methoxyethenyl)-1-methylpyrazol-3-amine

C7H11N3O — CID 123776242

IUPAC4-(2-methoxyethenyl)-1-methylpyrazol-3-amine
SMILESCOC=Cc1cn(C)nc1N
InChIInChI=1S/C7H11N3O/c1-10-5-6(3-4-11-2)7(8)9-10/h3-5H,1-2H3,(H2,8,9)
InChIKeyDASBLERWCMJXMV-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.62
Rot. Bonds2

About 4-(2-methoxyethenyl)-1-methylpyrazol-3-amine

4-(2-methoxyethenyl)-1-methylpyrazol-3-amine (PubChem CID 123776242) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-(2-methoxyethenyl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-(2-methoxyethenyl)-1-methylpyrazol-3-amine
PubChem CID123776242
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name4-(2-methoxyethenyl)-1-methylpyrazol-3-amine
SMILESCOC=Cc1cn(C)nc1N
InChIInChI=1S/C7H11N3O/c1-10-5-6(3-4-11-2)7(8)9-10/h3-5H,1-2H3,(H2,8,9)
InChIKeyDASBLERWCMJXMV-UHFFFAOYSA-N
XLogP0.62
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethenyl)-1-methylpyrazol-3-amine?
The IUPAC name of 4-(2-methoxyethenyl)-1-methylpyrazol-3-amine (CID 123776242) is 4-(2-methoxyethenyl)-1-methylpyrazol-3-amine.
What is the SMILES notation for 4-(2-methoxyethenyl)-1-methylpyrazol-3-amine?
The canonical SMILES for 4-(2-methoxyethenyl)-1-methylpyrazol-3-amine is COC=Cc1cn(C)nc1N.
What is the InChIKey of 4-(2-methoxyethenyl)-1-methylpyrazol-3-amine?
The InChIKey is DASBLERWCMJXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-10-5-6(3-4-11-2)7(8)9-10/h3-5H,1-2H3,(H2,8,9).
What are the key properties of 4-(2-methoxyethenyl)-1-methylpyrazol-3-amine?
4-(2-methoxyethenyl)-1-methylpyrazol-3-amine has a molecular weight of 153.18 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethenyl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 123776242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).