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

C7H11N3O — CID 143550439

IUPAC4-(1-ethoxyethenyl)-1H-pyrazol-5-amine
SMILESC=C(OCC)c1cn[nH]c1N
InChIInChI=1S/C7H11N3O/c1-3-11-5(2)6-4-9-10-7(6)8/h4H,2-3H2,1H3,(H3,8,9,10)
InChIKeyFZCOJPIWLGWEOP-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.00
Rot. Bonds3

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

4-(1-ethoxyethenyl)-1H-pyrazol-5-amine (PubChem CID 143550439) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-(1-ethoxyethenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(1-ethoxyethenyl)-1H-pyrazol-5-amine
PubChem CID143550439
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name4-(1-ethoxyethenyl)-1H-pyrazol-5-amine
SMILESC=C(OCC)c1cn[nH]c1N
InChIInChI=1S/C7H11N3O/c1-3-11-5(2)6-4-9-10-7(6)8/h4H,2-3H2,1H3,(H3,8,9,10)
InChIKeyFZCOJPIWLGWEOP-UHFFFAOYSA-N
XLogP1.00
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.00
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-ethoxyethenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(1-ethoxyethenyl)-1H-pyrazol-5-amine (CID 143550439) is 4-(1-ethoxyethenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(1-ethoxyethenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(1-ethoxyethenyl)-1H-pyrazol-5-amine is C=C(OCC)c1cn[nH]c1N.
What is the InChIKey of 4-(1-ethoxyethenyl)-1H-pyrazol-5-amine?
The InChIKey is FZCOJPIWLGWEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-3-11-5(2)6-4-9-10-7(6)8/h4H,2-3H2,1H3,(H3,8,9,10).
What are the key properties of 4-(1-ethoxyethenyl)-1H-pyrazol-5-amine?
4-(1-ethoxyethenyl)-1H-pyrazol-5-amine has a molecular weight of 153.18 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 143550439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).