1-[(E)-but-2-enyl]-5-methylpyrazol-4-amine

C8H13N3 — CID 131351802

IUPAC1-[(E)-but-2-enyl]-5-methylpyrazol-4-amine
SMILESC/C=C/Cn1ncc(N)c1C
InChIInChI=1S/C8H13N3/c1-3-4-5-11-7(2)8(9)6-10-11/h3-4,6H,5,9H2,1-2H3/b4-3+
InChIKeyDDNCAYVQORHCJB-ONEGZZNKSA-N
MW151.21 g/mol
LogP1.35
Rot. Bonds2

About 1-[(E)-but-2-enyl]-5-methylpyrazol-4-amine

1-[(E)-but-2-enyl]-5-methylpyrazol-4-amine (PubChem CID 131351802) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-5-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-5-methylpyrazol-4-amine
PubChem CID131351802
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-[(E)-but-2-enyl]-5-methylpyrazol-4-amine
SMILESC/C=C/Cn1ncc(N)c1C
InChIInChI=1S/C8H13N3/c1-3-4-5-11-7(2)8(9)6-10-11/h3-4,6H,5,9H2,1-2H3/b4-3+
InChIKeyDDNCAYVQORHCJB-ONEGZZNKSA-N
XLogP1.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.35
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-[(E)-but-2-enyl]-5-methylpyrazol-4-amine?
The IUPAC name of 1-[(E)-but-2-enyl]-5-methylpyrazol-4-amine (CID 131351802) is 1-[(E)-but-2-enyl]-5-methylpyrazol-4-amine.
What is the SMILES notation for 1-[(E)-but-2-enyl]-5-methylpyrazol-4-amine?
The canonical SMILES for 1-[(E)-but-2-enyl]-5-methylpyrazol-4-amine is C/C=C/Cn1ncc(N)c1C.
What is the InChIKey of 1-[(E)-but-2-enyl]-5-methylpyrazol-4-amine?
The InChIKey is DDNCAYVQORHCJB-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-4-5-11-7(2)8(9)6-10-11/h3-4,6H,5,9H2,1-2H3/b4-3+.
What are the key properties of 1-[(E)-but-2-enyl]-5-methylpyrazol-4-amine?
1-[(E)-but-2-enyl]-5-methylpyrazol-4-amine has a molecular weight of 151.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-5-methylpyrazol-4-amine is sourced from PubChem (CID 131351802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).