4-(1-methoxyethenyl)-1H-pyrazol-5-amine

C6H9N3O — CID 163533484

IUPAC4-(1-methoxyethenyl)-1H-pyrazol-5-amine
SMILESC=C(OC)c1cn[nH]c1N
InChIInChI=1S/C6H9N3O/c1-4(10-2)5-3-8-9-6(5)7/h3H,1H2,2H3,(H3,7,8,9)
InChIKeyDUYIWBXZTZKXTG-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.61
Rot. Bonds2

About 4-(1-methoxyethenyl)-1H-pyrazol-5-amine

4-(1-methoxyethenyl)-1H-pyrazol-5-amine (PubChem CID 163533484) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 4-(1-methoxyethenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(1-methoxyethenyl)-1H-pyrazol-5-amine
PubChem CID163533484
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name4-(1-methoxyethenyl)-1H-pyrazol-5-amine
SMILESC=C(OC)c1cn[nH]c1N
InChIInChI=1S/C6H9N3O/c1-4(10-2)5-3-8-9-6(5)7/h3H,1H2,2H3,(H3,7,8,9)
InChIKeyDUYIWBXZTZKXTG-UHFFFAOYSA-N
XLogP0.61
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-1H-pyrazol-5-amine?
The IUPAC name of 4-(1-methoxyethenyl)-1H-pyrazol-5-amine (CID 163533484) is 4-(1-methoxyethenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(1-methoxyethenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(1-methoxyethenyl)-1H-pyrazol-5-amine is C=C(OC)c1cn[nH]c1N.
What is the InChIKey of 4-(1-methoxyethenyl)-1H-pyrazol-5-amine?
The InChIKey is DUYIWBXZTZKXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4(10-2)5-3-8-9-6(5)7/h3H,1H2,2H3,(H3,7,8,9).
What are the key properties of 4-(1-methoxyethenyl)-1H-pyrazol-5-amine?
4-(1-methoxyethenyl)-1H-pyrazol-5-amine has a molecular weight of 139.16 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxyethenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 163533484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).