5-(chloromethyl)-1-ethyl-3-methyl-6-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-d]pyrazole

C14H17ClN6 — CID 79285997

IUPAC5-(chloromethyl)-1-ethyl-3-methyl-6-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-d]pyrazole
SMILESCCn1nc(C)c2nc(CCl)n(Cc3cnc(C)cn3)c21
InChIInChI=1S/C14H17ClN6/c1-4-21-14-13(10(3)19-21)18-12(5-15)20(14)8-11-7-16-9(2)6-17-11/h6-7H,4-5,8H2,1-3H3
InChIKeyQTIODOYTVJKKQC-UHFFFAOYSA-N
MW304.79 g/mol
LogP2.45
Rot. Bonds4

About 5-(chloromethyl)-1-ethyl-3-methyl-6-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-d]pyrazole

5-(chloromethyl)-1-ethyl-3-methyl-6-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-d]pyrazole (PubChem CID 79285997) has the molecular formula C14H17ClN6 and a molecular weight of 304.79 g/mol. Its IUPAC name is 5-(chloromethyl)-1-ethyl-3-methyl-6-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-ethyl-3-methyl-6-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-d]pyrazole
PubChem CID79285997
Molecular FormulaC14H17ClN6
Molecular Weight304.79 g/mol
Exact Mass304.12
IUPAC Name5-(chloromethyl)-1-ethyl-3-methyl-6-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-d]pyrazole
SMILESCCn1nc(C)c2nc(CCl)n(Cc3cnc(C)cn3)c21
InChIInChI=1S/C14H17ClN6/c1-4-21-14-13(10(3)19-21)18-12(5-15)20(14)8-11-7-16-9(2)6-17-11/h6-7H,4-5,8H2,1-3H3
InChIKeyQTIODOYTVJKKQC-UHFFFAOYSA-N
XLogP2.45
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.79
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-1-ethyl-3-methyl-6-[(5-methylpyrazin-2-yl)methyl]imidazo[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-ethyl-3-methyl-6-(pyridazin-3-ylmethyl)imidazo[4,5-d]pyrazole
CID 106896998
5-(chloromethyl)-1-ethyl-6-[(4-fluorophenyl)methyl]-3-methylimidazo[4,5-d]pyrazole
CID 79284035
6-[(2-bromophenyl)methyl]-5-(chloromethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole
CID 79284600
5-(chloromethyl)-1-ethyl-3-methyl-6-[2-(1-methylpyrazol-4-yl)ethyl]imidazo[4,5-d]pyrazole
CID 80685741
5-(chloromethyl)-1-ethyl-3-methyl-6-[2-(1-methylpyrazol-3-yl)ethyl]imidazo[4,5-d]pyrazole
CID 106105842
2-[2-[5-(chloromethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole
CID 79308237
5-(chloromethyl)-1-ethyl-3-methyl-6-[(2-methylcyclopentyl)methyl]imidazo[4,5-d]pyrazole
CID 107419723
4-[5-(chloromethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylbutan-1-amine
CID 79307730
5-(chloromethyl)-1-ethyl-3-methyl-6-(3-methylsulfonylpropyl)imidazo[4,5-d]pyrazole
CID 79307830
2-[5-(chloromethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylacetamide
CID 79308329
5-(chloromethyl)-6-(3,5-dimethylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole
CID 79284171
5-(2-chloroethyl)-1-ethyl-3-methyl-6-[(5-methylfuran-2-yl)methyl]imidazo[4,5-d]pyrazole
CID 79285228

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-ethyl-3-methyl-6-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-d]pyrazole?
The IUPAC name of 5-(chloromethyl)-1-ethyl-3-methyl-6-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-d]pyrazole (CID 79285997) is 5-(chloromethyl)-1-ethyl-3-methyl-6-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(chloromethyl)-1-ethyl-3-methyl-6-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(chloromethyl)-1-ethyl-3-methyl-6-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-d]pyrazole is CCn1nc(C)c2nc(CCl)n(Cc3cnc(C)cn3)c21.
What is the InChIKey of 5-(chloromethyl)-1-ethyl-3-methyl-6-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-d]pyrazole?
The InChIKey is QTIODOYTVJKKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6/c1-4-21-14-13(10(3)19-21)18-12(5-15)20(14)8-11-7-16-9(2)6-17-11/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 5-(chloromethyl)-1-ethyl-3-methyl-6-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-d]pyrazole?
5-(chloromethyl)-1-ethyl-3-methyl-6-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-d]pyrazole has a molecular weight of 304.79 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-ethyl-3-methyl-6-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-d]pyrazole is sourced from PubChem (CID 79285997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).