4-(1-methoxyethenyl)-1-methylpyrazol-5-amine

C7H11N3O — CID 134240106

IUPAC4-(1-methoxyethenyl)-1-methylpyrazol-5-amine
SMILESC=C(OC)c1cnn(C)c1N
InChIInChI=1S/C7H11N3O/c1-5(11-3)6-4-9-10(2)7(6)8/h4H,1,8H2,2-3H3
InChIKeyWGYUOTVOZIAGTM-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.62
Rot. Bonds2

About 4-(1-methoxyethenyl)-1-methylpyrazol-5-amine

4-(1-methoxyethenyl)-1-methylpyrazol-5-amine (PubChem CID 134240106) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-(1-methoxyethenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(1-methoxyethenyl)-1-methylpyrazol-5-amine
PubChem CID134240106
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name4-(1-methoxyethenyl)-1-methylpyrazol-5-amine
SMILESC=C(OC)c1cnn(C)c1N
InChIInChI=1S/C7H11N3O/c1-5(11-3)6-4-9-10(2)7(6)8/h4H,1,8H2,2-3H3
InChIKeyWGYUOTVOZIAGTM-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-(1-methoxyethenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(1-methoxyethenyl)-1-methylpyrazol-5-amine (CID 134240106) is 4-(1-methoxyethenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(1-methoxyethenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(1-methoxyethenyl)-1-methylpyrazol-5-amine is C=C(OC)c1cnn(C)c1N.
What is the InChIKey of 4-(1-methoxyethenyl)-1-methylpyrazol-5-amine?
The InChIKey is WGYUOTVOZIAGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5(11-3)6-4-9-10(2)7(6)8/h4H,1,8H2,2-3H3.
What are the key properties of 4-(1-methoxyethenyl)-1-methylpyrazol-5-amine?
4-(1-methoxyethenyl)-1-methylpyrazol-5-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-(1-methoxyethenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 134240106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).