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

C15H23ClN4 — CID 79300020

IUPAC5-(1-chloroethyl)-3-ethyl-1-methyl-6-(1-methylcyclopentyl)imidazo[4,5-d]pyrazole
SMILESCCc1nn(C)c2c1nc(C(C)Cl)n2C1(C)CCCC1
InChIInChI=1S/C15H23ClN4/c1-5-11-12-14(19(4)18-11)20(13(17-12)10(2)16)15(3)8-6-7-9-15/h10H,5-9H2,1-4H3
InChIKeyKRXWMVPOOUCWMD-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.92
Rot. Bonds3

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

5-(1-chloroethyl)-3-ethyl-1-methyl-6-(1-methylcyclopentyl)imidazo[4,5-d]pyrazole (PubChem CID 79300020) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 5-(1-chloroethyl)-3-ethyl-1-methyl-6-(1-methylcyclopentyl)imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(1-chloroethyl)-3-ethyl-1-methyl-6-(1-methylcyclopentyl)imidazo[4,5-d]pyrazole
PubChem CID79300020
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name5-(1-chloroethyl)-3-ethyl-1-methyl-6-(1-methylcyclopentyl)imidazo[4,5-d]pyrazole
SMILESCCc1nn(C)c2c1nc(C(C)Cl)n2C1(C)CCCC1
InChIInChI=1S/C15H23ClN4/c1-5-11-12-14(19(4)18-11)20(13(17-12)10(2)16)15(3)8-6-7-9-15/h10H,5-9H2,1-4H3
InChIKeyKRXWMVPOOUCWMD-UHFFFAOYSA-N
XLogP3.92
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.92
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

5-(chloromethyl)-3-ethyl-1-methyl-6-(1-methylcyclohexyl)imidazo[4,5-d]pyrazole
CID 79300427
5-(1-chloroethyl)-6-(2,2-dimethylcyclopentyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole
CID 79870294
5-(1-chloroethyl)-1-ethyl-3-methyl-6-(1-methylcyclohexyl)imidazo[4,5-d]pyrazole
CID 79285130
5-(1-chloroethyl)-3-ethyl-6-(3-ethylpentan-3-yl)-1-methylimidazo[4,5-d]pyrazole
CID 79281064
5-(1-chloroethyl)-6-(2-ethoxyethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole
CID 79299795
5-(1-chloroethyl)-3-ethyl-1-methyl-6-(2-methylsulfanylethyl)imidazo[4,5-d]pyrazole
CID 79300017
6-benzyl-5-(1-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole
CID 79281467
5-(1-chloroethyl)-3-ethyl-1-methyl-6-(5-methylhexyl)imidazo[4,5-d]pyrazole
CID 115326650
5-(1-chloroethyl)-3-ethyl-1-methyl-6-(3-propoxypropyl)imidazo[4,5-d]pyrazole
CID 82942163
5-(1-chloroethyl)-3-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)imidazo[4,5-d]pyrazole
CID 79779319
5-(1-chloroethyl)-6-(4-chlorophenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole
CID 79282601
methyl 2-[5-(1-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]acetate
CID 79300002

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-3-ethyl-1-methyl-6-(1-methylcyclopentyl)imidazo[4,5-d]pyrazole?
The IUPAC name of 5-(1-chloroethyl)-3-ethyl-1-methyl-6-(1-methylcyclopentyl)imidazo[4,5-d]pyrazole (CID 79300020) is 5-(1-chloroethyl)-3-ethyl-1-methyl-6-(1-methylcyclopentyl)imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(1-chloroethyl)-3-ethyl-1-methyl-6-(1-methylcyclopentyl)imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(1-chloroethyl)-3-ethyl-1-methyl-6-(1-methylcyclopentyl)imidazo[4,5-d]pyrazole is CCc1nn(C)c2c1nc(C(C)Cl)n2C1(C)CCCC1.
What is the InChIKey of 5-(1-chloroethyl)-3-ethyl-1-methyl-6-(1-methylcyclopentyl)imidazo[4,5-d]pyrazole?
The InChIKey is KRXWMVPOOUCWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c1-5-11-12-14(19(4)18-11)20(13(17-12)10(2)16)15(3)8-6-7-9-15/h10H,5-9H2,1-4H3.
What are the key properties of 5-(1-chloroethyl)-3-ethyl-1-methyl-6-(1-methylcyclopentyl)imidazo[4,5-d]pyrazole?
5-(1-chloroethyl)-3-ethyl-1-methyl-6-(1-methylcyclopentyl)imidazo[4,5-d]pyrazole has a molecular weight of 294.83 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-3-ethyl-1-methyl-6-(1-methylcyclopentyl)imidazo[4,5-d]pyrazole is sourced from PubChem (CID 79300020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).