5-prop-2-enoxy-1H-pyrazol-4-amine

C6H9N3O — CID 70521570

IUPAC5-prop-2-enoxy-1H-pyrazol-4-amine
SMILESC=CCOc1[nH]ncc1N
InChIInChI=1S/C6H9N3O/c1-2-3-10-6-5(7)4-8-9-6/h2,4H,1,3,7H2,(H,8,9)
InChIKeyHDRILOJDQNXMJP-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.56
Rot. Bonds3

About 5-prop-2-enoxy-1H-pyrazol-4-amine

5-prop-2-enoxy-1H-pyrazol-4-amine (PubChem CID 70521570) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 5-prop-2-enoxy-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-prop-2-enoxy-1H-pyrazol-4-amine
PubChem CID70521570
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name5-prop-2-enoxy-1H-pyrazol-4-amine
SMILESC=CCOc1[nH]ncc1N
InChIInChI=1S/C6H9N3O/c1-2-3-10-6-5(7)4-8-9-6/h2,4H,1,3,7H2,(H,8,9)
InChIKeyHDRILOJDQNXMJP-UHFFFAOYSA-N
XLogP0.56
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enoxy-1H-pyrazol-4-amine?
The IUPAC name of 5-prop-2-enoxy-1H-pyrazol-4-amine (CID 70521570) is 5-prop-2-enoxy-1H-pyrazol-4-amine.
What is the SMILES notation for 5-prop-2-enoxy-1H-pyrazol-4-amine?
The canonical SMILES for 5-prop-2-enoxy-1H-pyrazol-4-amine is C=CCOc1[nH]ncc1N.
What is the InChIKey of 5-prop-2-enoxy-1H-pyrazol-4-amine?
The InChIKey is HDRILOJDQNXMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-3-10-6-5(7)4-8-9-6/h2,4H,1,3,7H2,(H,8,9).
What are the key properties of 5-prop-2-enoxy-1H-pyrazol-4-amine?
5-prop-2-enoxy-1H-pyrazol-4-amine has a molecular weight of 139.16 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enoxy-1H-pyrazol-4-amine is sourced from PubChem (CID 70521570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).