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

C15H23ClN4 — CID 107419723

IUPAC5-(chloromethyl)-1-ethyl-3-methyl-6-[(2-methylcyclopentyl)methyl]imidazo[4,5-d]pyrazole
SMILESCCn1nc(C)c2nc(CCl)n(CC3CCCC3C)c21
InChIInChI=1S/C15H23ClN4/c1-4-20-15-14(11(3)18-20)17-13(8-16)19(15)9-12-7-5-6-10(12)2/h10,12H,4-9H2,1-3H3
InChIKeyWLWSXWHTOCFULY-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.74
Rot. Bonds4

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

5-(chloromethyl)-1-ethyl-3-methyl-6-[(2-methylcyclopentyl)methyl]imidazo[4,5-d]pyrazole (PubChem CID 107419723) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 5-(chloromethyl)-1-ethyl-3-methyl-6-[(2-methylcyclopentyl)methyl]imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-ethyl-3-methyl-6-[(2-methylcyclopentyl)methyl]imidazo[4,5-d]pyrazole
PubChem CID107419723
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name5-(chloromethyl)-1-ethyl-3-methyl-6-[(2-methylcyclopentyl)methyl]imidazo[4,5-d]pyrazole
SMILESCCn1nc(C)c2nc(CCl)n(CC3CCCC3C)c21
InChIInChI=1S/C15H23ClN4/c1-4-20-15-14(11(3)18-20)17-13(8-16)19(15)9-12-7-5-6-10(12)2/h10,12H,4-9H2,1-3H3
InChIKeyWLWSXWHTOCFULY-UHFFFAOYSA-N
XLogP3.74
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-methyl-6-[(2-methylcyclohexyl)methyl]imidazo[4,5-d]pyrazol-5-amine
CID 79305208
2-[5-(chloromethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylacetamide
CID 79308329
1-ethyl-3-methyl-6-[(2-methylcyclopropyl)methyl]imidazo[4,5-d]pyrazol-5-amine
CID 113463957
5-(chloromethyl)-1-ethyl-3-methyl-6-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-d]pyrazole
CID 79285997
4-[5-(chloromethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylbutan-1-amine
CID 79307730
5-(chloromethyl)-1-ethyl-6-[(4-fluorophenyl)methyl]-3-methylimidazo[4,5-d]pyrazole
CID 79284035
5-(chloromethyl)-1-ethyl-3-methyl-6-(pyridazin-3-ylmethyl)imidazo[4,5-d]pyrazole
CID 106896998
5-(chloromethyl)-1-ethyl-3-methyl-6-(3-methylsulfonylpropyl)imidazo[4,5-d]pyrazole
CID 79307830
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
6-[(2-bromophenyl)methyl]-5-(chloromethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole
CID 79284600
6-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79284544

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-ethyl-3-methyl-6-[(2-methylcyclopentyl)methyl]imidazo[4,5-d]pyrazole?
The IUPAC name of 5-(chloromethyl)-1-ethyl-3-methyl-6-[(2-methylcyclopentyl)methyl]imidazo[4,5-d]pyrazole (CID 107419723) is 5-(chloromethyl)-1-ethyl-3-methyl-6-[(2-methylcyclopentyl)methyl]imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(chloromethyl)-1-ethyl-3-methyl-6-[(2-methylcyclopentyl)methyl]imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(chloromethyl)-1-ethyl-3-methyl-6-[(2-methylcyclopentyl)methyl]imidazo[4,5-d]pyrazole is CCn1nc(C)c2nc(CCl)n(CC3CCCC3C)c21.
What is the InChIKey of 5-(chloromethyl)-1-ethyl-3-methyl-6-[(2-methylcyclopentyl)methyl]imidazo[4,5-d]pyrazole?
The InChIKey is WLWSXWHTOCFULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c1-4-20-15-14(11(3)18-20)17-13(8-16)19(15)9-12-7-5-6-10(12)2/h10,12H,4-9H2,1-3H3.
What are the key properties of 5-(chloromethyl)-1-ethyl-3-methyl-6-[(2-methylcyclopentyl)methyl]imidazo[4,5-d]pyrazole?
5-(chloromethyl)-1-ethyl-3-methyl-6-[(2-methylcyclopentyl)methyl]imidazo[4,5-d]pyrazole has a molecular weight of 294.83 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-ethyl-3-methyl-6-[(2-methylcyclopentyl)methyl]imidazo[4,5-d]pyrazole is sourced from PubChem (CID 107419723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).