5-(1-chloroethyl)-6-ethyl-1,3-dimethylimidazo[4,5-d]pyrazole

C10H15ClN4 — CID 79297164

IUPAC5-(1-chloroethyl)-6-ethyl-1,3-dimethylimidazo[4,5-d]pyrazole
SMILESCCn1c(C(C)Cl)nc2c(C)nn(C)c21
InChIInChI=1S/C10H15ClN4/c1-5-15-9(6(2)11)12-8-7(3)13-14(4)10(8)15/h6H,5H2,1-4H3
InChIKeyBWZYFTKFVUGGDN-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.40
Rot. Bonds2

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

5-(1-chloroethyl)-6-ethyl-1,3-dimethylimidazo[4,5-d]pyrazole (PubChem CID 79297164) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 5-(1-chloroethyl)-6-ethyl-1,3-dimethylimidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(1-chloroethyl)-6-ethyl-1,3-dimethylimidazo[4,5-d]pyrazole
PubChem CID79297164
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name5-(1-chloroethyl)-6-ethyl-1,3-dimethylimidazo[4,5-d]pyrazole
SMILESCCn1c(C(C)Cl)nc2c(C)nn(C)c21
InChIInChI=1S/C10H15ClN4/c1-5-15-9(6(2)11)12-8-7(3)13-14(4)10(8)15/h6H,5H2,1-4H3
InChIKeyBWZYFTKFVUGGDN-UHFFFAOYSA-N
XLogP2.40
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.40
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-(1-chloroethyl)-6-(2-ethoxyethyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79297389
5-(1-chloroethyl)-6-[(1-ethylcyclopropyl)methyl]-1,3-dimethylimidazo[4,5-d]pyrazole
CID 114101213
5-(1-chloroethyl)-1,3-dimethyl-6-(4-propan-2-yloxybutyl)imidazo[4,5-d]pyrazole
CID 106005079
4-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]butanamide
CID 79297320
5-(1-chloroethyl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-dimethylimidazo[4,5-d]pyrazole
CID 106036570
ethyl 4-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]butanoate
CID 79276861
N-tert-butyl-2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]acetamide
CID 115357088
4-[[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]methyl]-1,3-thiazole
CID 79287886
4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole
CID 79288117
5-(1-chloroethyl)-1,3-dimethyl-6-(thian-2-ylmethyl)imidazo[4,5-d]pyrazole
CID 80612682
5-(1-chloroethyl)-6-[2-(furan-2-yl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79296969
5-(1-chloroethyl)-1,3-dimethyl-6-(2-pyridin-3-ylethyl)imidazo[4,5-d]pyrazole
CID 79277091

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-6-ethyl-1,3-dimethylimidazo[4,5-d]pyrazole?
The IUPAC name of 5-(1-chloroethyl)-6-ethyl-1,3-dimethylimidazo[4,5-d]pyrazole (CID 79297164) is 5-(1-chloroethyl)-6-ethyl-1,3-dimethylimidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(1-chloroethyl)-6-ethyl-1,3-dimethylimidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(1-chloroethyl)-6-ethyl-1,3-dimethylimidazo[4,5-d]pyrazole is CCn1c(C(C)Cl)nc2c(C)nn(C)c21.
What is the InChIKey of 5-(1-chloroethyl)-6-ethyl-1,3-dimethylimidazo[4,5-d]pyrazole?
The InChIKey is BWZYFTKFVUGGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-5-15-9(6(2)11)12-8-7(3)13-14(4)10(8)15/h6H,5H2,1-4H3.
What are the key properties of 5-(1-chloroethyl)-6-ethyl-1,3-dimethylimidazo[4,5-d]pyrazole?
5-(1-chloroethyl)-6-ethyl-1,3-dimethylimidazo[4,5-d]pyrazole has a molecular weight of 226.71 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-6-ethyl-1,3-dimethylimidazo[4,5-d]pyrazole is sourced from PubChem (CID 79297164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).