1-prop-2-enylpyrazol-3-amine

C6H9N3 — CID 57098785

IUPAC1-prop-2-enylpyrazol-3-amine
SMILESC=CCn1ccc(N)n1
InChIInChI=1S/C6H9N3/c1-2-4-9-5-3-6(7)8-9/h2-3,5H,1,4H2,(H2,7,8)
InChIKeyFSNPHGVOUBOZTE-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.65
Rot. Bonds2

About 1-prop-2-enylpyrazol-3-amine

1-prop-2-enylpyrazol-3-amine (PubChem CID 57098785) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 1-prop-2-enylpyrazol-3-amine.

Molecular Properties

Compound Name1-prop-2-enylpyrazol-3-amine
PubChem CID57098785
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name1-prop-2-enylpyrazol-3-amine
SMILESC=CCn1ccc(N)n1
InChIInChI=1S/C6H9N3/c1-2-4-9-5-3-6(7)8-9/h2-3,5H,1,4H2,(H2,7,8)
InChIKeyFSNPHGVOUBOZTE-UHFFFAOYSA-N
XLogP0.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.65
H-Bond Donors ≤ 51
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 1-prop-2-enylpyrazol-3-amine?
The IUPAC name of 1-prop-2-enylpyrazol-3-amine (CID 57098785) is 1-prop-2-enylpyrazol-3-amine.
What is the SMILES notation for 1-prop-2-enylpyrazol-3-amine?
The canonical SMILES for 1-prop-2-enylpyrazol-3-amine is C=CCn1ccc(N)n1.
What is the InChIKey of 1-prop-2-enylpyrazol-3-amine?
The InChIKey is FSNPHGVOUBOZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-2-4-9-5-3-6(7)8-9/h2-3,5H,1,4H2,(H2,7,8).
What are the key properties of 1-prop-2-enylpyrazol-3-amine?
1-prop-2-enylpyrazol-3-amine has a molecular weight of 123.16 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylpyrazol-3-amine is sourced from PubChem (CID 57098785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).