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

C15H18ClN5 — CID 79282956

IUPAC5-(chloromethyl)-1-ethyl-3-methyl-6-(1-pyridin-2-ylethyl)imidazo[4,5-d]pyrazole
SMILESCCn1nc(C)c2nc(CCl)n(C(C)c3ccccn3)c21
InChIInChI=1S/C15H18ClN5/c1-4-20-15-14(10(2)19-20)18-13(9-16)21(15)11(3)12-7-5-6-8-17-12/h5-8,11H,4,9H2,1-3H3
InChIKeyIKTRFGXZAGOSHO-UHFFFAOYSA-N
MW303.80 g/mol
LogP3.30
Rot. Bonds4

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

5-(chloromethyl)-1-ethyl-3-methyl-6-(1-pyridin-2-ylethyl)imidazo[4,5-d]pyrazole (PubChem CID 79282956) has the molecular formula C15H18ClN5 and a molecular weight of 303.80 g/mol. Its IUPAC name is 5-(chloromethyl)-1-ethyl-3-methyl-6-(1-pyridin-2-ylethyl)imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-ethyl-3-methyl-6-(1-pyridin-2-ylethyl)imidazo[4,5-d]pyrazole
PubChem CID79282956
Molecular FormulaC15H18ClN5
Molecular Weight303.80 g/mol
Exact Mass303.13
IUPAC Name5-(chloromethyl)-1-ethyl-3-methyl-6-(1-pyridin-2-ylethyl)imidazo[4,5-d]pyrazole
SMILESCCn1nc(C)c2nc(CCl)n(C(C)c3ccccn3)c21
InChIInChI=1S/C15H18ClN5/c1-4-20-15-14(10(2)19-20)18-13(9-16)21(15)11(3)12-7-5-6-8-17-12/h5-8,11H,4,9H2,1-3H3
InChIKeyIKTRFGXZAGOSHO-UHFFFAOYSA-N
XLogP3.30
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[5-(chloromethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]propanoate
CID 79308332
6-[(2-bromophenyl)methyl]-5-(chloromethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole
CID 79284600
2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole
CID 79288334
2-(chloromethyl)-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazole
CID 62378078
5-(chloromethyl)-6-(3,5-dimethylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole
CID 79284171
5-(chloromethyl)-1,3-dimethyl-6-(3-methylpentan-2-yl)imidazo[4,5-d]pyrazole
CID 79297674
2-[2-[5-(chloromethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole
CID 79308237
2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-5-methyl-1,3-oxazole
CID 106389161
5-(chloromethyl)-1-ethyl-3-methyl-6-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-d]pyrazole
CID 79285997
5-(chloromethyl)-1-ethyl-3-methyl-6-[2-(1-methylpyrazol-3-yl)ethyl]imidazo[4,5-d]pyrazole
CID 106105842
6-(2-bromophenyl)-5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole
CID 79283918
2-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N-methylpropanamide
CID 79307122

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-ethyl-3-methyl-6-(1-pyridin-2-ylethyl)imidazo[4,5-d]pyrazole?
The IUPAC name of 5-(chloromethyl)-1-ethyl-3-methyl-6-(1-pyridin-2-ylethyl)imidazo[4,5-d]pyrazole (CID 79282956) is 5-(chloromethyl)-1-ethyl-3-methyl-6-(1-pyridin-2-ylethyl)imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(chloromethyl)-1-ethyl-3-methyl-6-(1-pyridin-2-ylethyl)imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(chloromethyl)-1-ethyl-3-methyl-6-(1-pyridin-2-ylethyl)imidazo[4,5-d]pyrazole is CCn1nc(C)c2nc(CCl)n(C(C)c3ccccn3)c21.
What is the InChIKey of 5-(chloromethyl)-1-ethyl-3-methyl-6-(1-pyridin-2-ylethyl)imidazo[4,5-d]pyrazole?
The InChIKey is IKTRFGXZAGOSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5/c1-4-20-15-14(10(2)19-20)18-13(9-16)21(15)11(3)12-7-5-6-8-17-12/h5-8,11H,4,9H2,1-3H3.
What are the key properties of 5-(chloromethyl)-1-ethyl-3-methyl-6-(1-pyridin-2-ylethyl)imidazo[4,5-d]pyrazole?
5-(chloromethyl)-1-ethyl-3-methyl-6-(1-pyridin-2-ylethyl)imidazo[4,5-d]pyrazole has a molecular weight of 303.80 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-ethyl-3-methyl-6-(1-pyridin-2-ylethyl)imidazo[4,5-d]pyrazole is sourced from PubChem (CID 79282956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).