1-[(Z)-2-(1H-pyrazol-5-ylmethyl)but-2-enyl]imidazole

C11H14N4 — CID 57080174

IUPAC1-[(Z)-2-(1H-pyrazol-5-ylmethyl)but-2-enyl]imidazole
SMILESC/C=C(/Cc1ccn[nH]1)Cn1ccnc1
InChIInChI=1S/C11H14N4/c1-2-10(7-11-3-4-13-14-11)8-15-6-5-12-9-15/h2-6,9H,7-8H2,1H3,(H,13,14)/b10-2-
InChIKeyCWLWDAGEBZBVFH-SGAXSIHGSA-N
MW202.26 g/mol
LogP1.80
Rot. Bonds4

About 1-[(Z)-2-(1H-pyrazol-5-ylmethyl)but-2-enyl]imidazole

1-[(Z)-2-(1H-pyrazol-5-ylmethyl)but-2-enyl]imidazole (PubChem CID 57080174) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-[(Z)-2-(1H-pyrazol-5-ylmethyl)but-2-enyl]imidazole.

Molecular Properties

Compound Name1-[(Z)-2-(1H-pyrazol-5-ylmethyl)but-2-enyl]imidazole
PubChem CID57080174
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name1-[(Z)-2-(1H-pyrazol-5-ylmethyl)but-2-enyl]imidazole
SMILESC/C=C(/Cc1ccn[nH]1)Cn1ccnc1
InChIInChI=1S/C11H14N4/c1-2-10(7-11-3-4-13-14-11)8-15-6-5-12-9-15/h2-6,9H,7-8H2,1H3,(H,13,14)/b10-2-
InChIKeyCWLWDAGEBZBVFH-SGAXSIHGSA-N
XLogP1.80
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(Z)-2-(1H-pyrazol-5-ylmethyl)but-2-enyl]imidazole 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-[(Z)-2-(1H-pyrazol-5-ylmethyl)but-2-enyl]imidazole?
The IUPAC name of 1-[(Z)-2-(1H-pyrazol-5-ylmethyl)but-2-enyl]imidazole (CID 57080174) is 1-[(Z)-2-(1H-pyrazol-5-ylmethyl)but-2-enyl]imidazole.
What is the SMILES notation for 1-[(Z)-2-(1H-pyrazol-5-ylmethyl)but-2-enyl]imidazole?
The canonical SMILES for 1-[(Z)-2-(1H-pyrazol-5-ylmethyl)but-2-enyl]imidazole is C/C=C(/Cc1ccn[nH]1)Cn1ccnc1.
What is the InChIKey of 1-[(Z)-2-(1H-pyrazol-5-ylmethyl)but-2-enyl]imidazole?
The InChIKey is CWLWDAGEBZBVFH-SGAXSIHGSA-N. The full InChI is InChI=1S/C11H14N4/c1-2-10(7-11-3-4-13-14-11)8-15-6-5-12-9-15/h2-6,9H,7-8H2,1H3,(H,13,14)/b10-2-.
What are the key properties of 1-[(Z)-2-(1H-pyrazol-5-ylmethyl)but-2-enyl]imidazole?
1-[(Z)-2-(1H-pyrazol-5-ylmethyl)but-2-enyl]imidazole has a molecular weight of 202.26 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(1H-pyrazol-5-ylmethyl)but-2-enyl]imidazole is sourced from PubChem (CID 57080174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).