7-(chloromethyl)-1-methylimidazo[2,1-e]pyrazole

C7H8ClN3 — CID 121215112

IUPAC7-(chloromethyl)-1-methylimidazo[2,1-e]pyrazole
SMILESCn1ccn2ncc(CCl)c12
InChIInChI=1S/C7H8ClN3/c1-10-2-3-11-7(10)6(4-8)5-9-11/h2-3,5H,4H2,1H3
InChIKeyPEAYUVWEDJFKQS-UHFFFAOYSA-N
MW169.61 g/mol
LogP1.41
Rot. Bonds1

About 7-(chloromethyl)-1-methylimidazo[2,1-e]pyrazole

7-(chloromethyl)-1-methylimidazo[2,1-e]pyrazole (PubChem CID 121215112) has the molecular formula C7H8ClN3 and a molecular weight of 169.61 g/mol. Its IUPAC name is 7-(chloromethyl)-1-methylimidazo[2,1-e]pyrazole.

Molecular Properties

Compound Name7-(chloromethyl)-1-methylimidazo[2,1-e]pyrazole
PubChem CID121215112
Molecular FormulaC7H8ClN3
Molecular Weight169.61 g/mol
Exact Mass169.04
IUPAC Name7-(chloromethyl)-1-methylimidazo[2,1-e]pyrazole
SMILESCn1ccn2ncc(CCl)c12
InChIInChI=1S/C7H8ClN3/c1-10-2-3-11-7(10)6(4-8)5-9-11/h2-3,5H,4H2,1H3
InChIKeyPEAYUVWEDJFKQS-UHFFFAOYSA-N
XLogP1.41
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-(chloromethyl)-1-methylimidazo[2,1-e]pyrazole 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 7-(chloromethyl)-1-methylimidazo[2,1-e]pyrazole?
The IUPAC name of 7-(chloromethyl)-1-methylimidazo[2,1-e]pyrazole (CID 121215112) is 7-(chloromethyl)-1-methylimidazo[2,1-e]pyrazole.
What is the SMILES notation for 7-(chloromethyl)-1-methylimidazo[2,1-e]pyrazole?
The canonical SMILES for 7-(chloromethyl)-1-methylimidazo[2,1-e]pyrazole is Cn1ccn2ncc(CCl)c12.
What is the InChIKey of 7-(chloromethyl)-1-methylimidazo[2,1-e]pyrazole?
The InChIKey is PEAYUVWEDJFKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3/c1-10-2-3-11-7(10)6(4-8)5-9-11/h2-3,5H,4H2,1H3.
What are the key properties of 7-(chloromethyl)-1-methylimidazo[2,1-e]pyrazole?
7-(chloromethyl)-1-methylimidazo[2,1-e]pyrazole has a molecular weight of 169.61 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)-1-methylimidazo[2,1-e]pyrazole is sourced from PubChem (CID 121215112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).