1-[(E)-but-2-enyl]pyrazol-3-amine

C7H11N3 — CID 107900518

IUPAC1-[(E)-but-2-enyl]pyrazol-3-amine
SMILESC/C=C/Cn1ccc(N)n1
InChIInChI=1S/C7H11N3/c1-2-3-5-10-6-4-7(8)9-10/h2-4,6H,5H2,1H3,(H2,8,9)/b3-2+
InChIKeyYVBDNNOYNXMQFU-NSCUHMNNSA-N
MW137.19 g/mol
LogP1.04
Rot. Bonds2

About 1-[(E)-but-2-enyl]pyrazol-3-amine

1-[(E)-but-2-enyl]pyrazol-3-amine (PubChem CID 107900518) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]pyrazol-3-amine
PubChem CID107900518
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-[(E)-but-2-enyl]pyrazol-3-amine
SMILESC/C=C/Cn1ccc(N)n1
InChIInChI=1S/C7H11N3/c1-2-3-5-10-6-4-7(8)9-10/h2-4,6H,5H2,1H3,(H2,8,9)/b3-2+
InChIKeyYVBDNNOYNXMQFU-NSCUHMNNSA-N
XLogP1.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(E)-but-2-enyl]pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]pyrazol-3-amine?
The IUPAC name of 1-[(E)-but-2-enyl]pyrazol-3-amine (CID 107900518) is 1-[(E)-but-2-enyl]pyrazol-3-amine.
What is the SMILES notation for 1-[(E)-but-2-enyl]pyrazol-3-amine?
The canonical SMILES for 1-[(E)-but-2-enyl]pyrazol-3-amine is C/C=C/Cn1ccc(N)n1.
What is the InChIKey of 1-[(E)-but-2-enyl]pyrazol-3-amine?
The InChIKey is YVBDNNOYNXMQFU-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-3-5-10-6-4-7(8)9-10/h2-4,6H,5H2,1H3,(H2,8,9)/b3-2+.
What are the key properties of 1-[(E)-but-2-enyl]pyrazol-3-amine?
1-[(E)-but-2-enyl]pyrazol-3-amine has a molecular weight of 137.19 g/mol, XLogP of 1.04, 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]pyrazol-3-amine is sourced from PubChem (CID 107900518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).