5-(chloromethyl)-6-(2-cyclopropylethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole

C13H19ClN4 — CID 79300573

IUPAC5-(chloromethyl)-6-(2-cyclopropylethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole
SMILESCCc1nn(C)c2c1nc(CCl)n2CCC1CC1
InChIInChI=1S/C13H19ClN4/c1-3-10-12-13(17(2)16-10)18(11(8-14)15-12)7-6-9-4-5-9/h9H,3-8H2,1-2H3
InChIKeyAWBCJNCAGCLZKS-UHFFFAOYSA-N
MW266.78 g/mol
LogP2.87
Rot. Bonds5

About 5-(chloromethyl)-6-(2-cyclopropylethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole

5-(chloromethyl)-6-(2-cyclopropylethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole (PubChem CID 79300573) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is 5-(chloromethyl)-6-(2-cyclopropylethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(chloromethyl)-6-(2-cyclopropylethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole
PubChem CID79300573
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC Name5-(chloromethyl)-6-(2-cyclopropylethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole
SMILESCCc1nn(C)c2c1nc(CCl)n2CCC1CC1
InChIInChI=1S/C13H19ClN4/c1-3-10-12-13(17(2)16-10)18(11(8-14)15-12)7-6-9-4-5-9/h9H,3-8H2,1-2H3
InChIKeyAWBCJNCAGCLZKS-UHFFFAOYSA-N
XLogP2.87
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 52.87
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-[(4-methylcyclohexyl)methyl]imidazo[4,5-d]pyrazole
CID 79281534
5-(chloromethyl)-3-ethyl-1-methyl-6-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-d]pyrazole
CID 79281035
4-[2-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine
CID 79281623
3-ethyl-1-methyl-6-[2-(4-methylcyclohexyl)ethyl]imidazo[4,5-d]pyrazol-5-amine
CID 79282728
3-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylpropanamide
CID 79378566
2-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylacetamide
CID 79299729
5-(chloromethyl)-6-(cyclopentylmethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazole
CID 79305166
1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-2-amine
CID 79300638
5-(chloromethyl)-6-(cyclohexylmethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazole
CID 79282586
5-(chloromethyl)-3-ethyl-1-methyl-6-(1-methylpyrrolidin-3-yl)imidazo[4,5-d]pyrazole
CID 79300635
2-[6-(2-cyclopropylethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-yl]sulfanylacetic acid
CID 79280314
N-tert-butyl-2-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]acetamide
CID 115357080

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-6-(2-cyclopropylethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole?
The IUPAC name of 5-(chloromethyl)-6-(2-cyclopropylethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole (CID 79300573) is 5-(chloromethyl)-6-(2-cyclopropylethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(chloromethyl)-6-(2-cyclopropylethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(chloromethyl)-6-(2-cyclopropylethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole is CCc1nn(C)c2c1nc(CCl)n2CCC1CC1.
What is the InChIKey of 5-(chloromethyl)-6-(2-cyclopropylethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole?
The InChIKey is AWBCJNCAGCLZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4/c1-3-10-12-13(17(2)16-10)18(11(8-14)15-12)7-6-9-4-5-9/h9H,3-8H2,1-2H3.
What are the key properties of 5-(chloromethyl)-6-(2-cyclopropylethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole?
5-(chloromethyl)-6-(2-cyclopropylethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole has a molecular weight of 266.78 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-6-(2-cyclopropylethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole is sourced from PubChem (CID 79300573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).