5-(chloromethyl)-6-(1-ethylpiperidin-3-yl)-1,3-dimethylimidazo[4,5-d]pyrazole

C14H22ClN5 — CID 79297676

IUPAC5-(chloromethyl)-6-(1-ethylpiperidin-3-yl)-1,3-dimethylimidazo[4,5-d]pyrazole
SMILESCCN1CCCC(n2c(CCl)nc3c(C)nn(C)c32)C1
InChIInChI=1S/C14H22ClN5/c1-4-19-7-5-6-11(9-19)20-12(8-15)16-13-10(2)17-18(3)14(13)20/h11H,4-9H2,1-3H3
InChIKeyJPTJNMPEARNTOD-UHFFFAOYSA-N
MW295.82 g/mol
LogP2.47
Rot. Bonds3

About 5-(chloromethyl)-6-(1-ethylpiperidin-3-yl)-1,3-dimethylimidazo[4,5-d]pyrazole

5-(chloromethyl)-6-(1-ethylpiperidin-3-yl)-1,3-dimethylimidazo[4,5-d]pyrazole (PubChem CID 79297676) has the molecular formula C14H22ClN5 and a molecular weight of 295.82 g/mol. Its IUPAC name is 5-(chloromethyl)-6-(1-ethylpiperidin-3-yl)-1,3-dimethylimidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(chloromethyl)-6-(1-ethylpiperidin-3-yl)-1,3-dimethylimidazo[4,5-d]pyrazole
PubChem CID79297676
Molecular FormulaC14H22ClN5
Molecular Weight295.82 g/mol
Exact Mass295.16
IUPAC Name5-(chloromethyl)-6-(1-ethylpiperidin-3-yl)-1,3-dimethylimidazo[4,5-d]pyrazole
SMILESCCN1CCCC(n2c(CCl)nc3c(C)nn(C)c32)C1
InChIInChI=1S/C14H22ClN5/c1-4-19-7-5-6-11(9-19)20-12(8-15)16-13-10(2)17-18(3)14(13)20/h11H,4-9H2,1-3H3
InChIKeyJPTJNMPEARNTOD-UHFFFAOYSA-N
XLogP2.47
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-6-(1-ethylpiperidin-3-yl)-1,3-dimethylimidazo[4,5-d]pyrazole with MolForge

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

Launch Full Analysis

Related Compounds

5-(chloromethyl)-1,3-dimethyl-6-(4-propylcyclohexyl)imidazo[4,5-d]pyrazole
CID 79275803
4-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]thiane 1-oxide
CID 113480270
2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)-5-methylimidazo[4,5-b]pyridine
CID 81136165
5-(chloromethyl)-3-ethyl-1-methyl-6-(1-methylpyrrolidin-3-yl)imidazo[4,5-d]pyrazole
CID 79300635
5-(2-chloroethyl)-6-cyclopropyl-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79297236
5-(2-chloroethyl)-1,3-dimethyl-6-(1-methylpiperidin-4-yl)imidazo[4,5-d]pyrazole
CID 79297739
2-(chloromethyl)-1-(1-ethylpiperidin-3-yl)-6,7-difluorobenzimidazole
CID 62533906
6-(2-bicyclo[2.2.1]heptanyl)-5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79288120
6-bromo-2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 79302252
6-cyclohexyl-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79296775
5-(2-chloroethyl)-6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79276693
3-[5-(2-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]thiolane 1,1-dioxide
CID 79297793

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-6-(1-ethylpiperidin-3-yl)-1,3-dimethylimidazo[4,5-d]pyrazole?
The IUPAC name of 5-(chloromethyl)-6-(1-ethylpiperidin-3-yl)-1,3-dimethylimidazo[4,5-d]pyrazole (CID 79297676) is 5-(chloromethyl)-6-(1-ethylpiperidin-3-yl)-1,3-dimethylimidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(chloromethyl)-6-(1-ethylpiperidin-3-yl)-1,3-dimethylimidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(chloromethyl)-6-(1-ethylpiperidin-3-yl)-1,3-dimethylimidazo[4,5-d]pyrazole is CCN1CCCC(n2c(CCl)nc3c(C)nn(C)c32)C1.
What is the InChIKey of 5-(chloromethyl)-6-(1-ethylpiperidin-3-yl)-1,3-dimethylimidazo[4,5-d]pyrazole?
The InChIKey is JPTJNMPEARNTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5/c1-4-19-7-5-6-11(9-19)20-12(8-15)16-13-10(2)17-18(3)14(13)20/h11H,4-9H2,1-3H3.
What are the key properties of 5-(chloromethyl)-6-(1-ethylpiperidin-3-yl)-1,3-dimethylimidazo[4,5-d]pyrazole?
5-(chloromethyl)-6-(1-ethylpiperidin-3-yl)-1,3-dimethylimidazo[4,5-d]pyrazole has a molecular weight of 295.82 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-6-(1-ethylpiperidin-3-yl)-1,3-dimethylimidazo[4,5-d]pyrazole is sourced from PubChem (CID 79297676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).