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

C15H16Cl2N4 — CID 79276825

IUPAC5-(chloromethyl)-6-[2-(4-chlorophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazole
SMILESCc1nn(C)c2c1nc(CCl)n2CCc1ccc(Cl)cc1
InChIInChI=1S/C15H16Cl2N4/c1-10-14-15(20(2)19-10)21(13(9-16)18-14)8-7-11-3-5-12(17)6-4-11/h3-6H,7-9H2,1-2H3
InChIKeyAAHUYSAXKREBMH-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.71
Rot. Bonds4

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

5-(chloromethyl)-6-[2-(4-chlorophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazole (PubChem CID 79276825) has the molecular formula C15H16Cl2N4 and a molecular weight of 323.23 g/mol. Its IUPAC name is 5-(chloromethyl)-6-[2-(4-chlorophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(chloromethyl)-6-[2-(4-chlorophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazole
PubChem CID79276825
Molecular FormulaC15H16Cl2N4
Molecular Weight323.23 g/mol
Exact Mass322.08
IUPAC Name5-(chloromethyl)-6-[2-(4-chlorophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazole
SMILESCc1nn(C)c2c1nc(CCl)n2CCc1ccc(Cl)cc1
InChIInChI=1S/C15H16Cl2N4/c1-10-14-15(20(2)19-10)21(13(9-16)18-14)8-7-11-3-5-12(17)6-4-11/h3-6H,7-9H2,1-2H3
InChIKeyAAHUYSAXKREBMH-UHFFFAOYSA-N
XLogP3.71
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.71
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

3-[(2-Chlorophenyl)methyl]-5-methyl-7-(1-pyrrolidinyl)triazolo[4,5-d]pyrimidine
CID 644484
[3-(2,4-Dichloro-phenyl)-2,5-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-yl]-ethyl-propyl-amine
CID 44307474
Butyl-[3-(2,4-dichloro-phenyl)-2,5-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-yl]-ethyl-amine
CID 44307491
[3-(2,4-Dichloro-phenyl)-2,5-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-yl]-dipropyl-amine
CID 44307738
[3-(2,6-Dichloro-phenyl)-2,5-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-yl]-dipropyl-amine
CID 44307747
[3-(2-Chloro-phenyl)-2,5-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-yl]-dipropyl-amine
CID 44307855
[3-(2,4-Dichloro-phenyl)-2,5-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-yl]-propyl-(2-pyrrolidin-1-yl-ethyl)-amine
CID 44308155
N'-[3-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[4,3-d]pyrimidin-7-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 44308156
[3-(2,4-Dichloro-phenyl)-2,5-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-yl]-ethyl-hexyl-amine
CID 44308157
4-(azetidin-1-yl)-5-[5-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 60163252
7-[(2-Chlorophenyl)methyl]-[1,2,4]triazolo[3,4-f]purine
CID 118709402
2-(4-Chlorophenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole
CID 118710907

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-6-[2-(4-chlorophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazole?
The IUPAC name of 5-(chloromethyl)-6-[2-(4-chlorophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazole (CID 79276825) is 5-(chloromethyl)-6-[2-(4-chlorophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(chloromethyl)-6-[2-(4-chlorophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(chloromethyl)-6-[2-(4-chlorophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazole is Cc1nn(C)c2c1nc(CCl)n2CCc1ccc(Cl)cc1.
What is the InChIKey of 5-(chloromethyl)-6-[2-(4-chlorophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazole?
The InChIKey is AAHUYSAXKREBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4/c1-10-14-15(20(2)19-10)21(13(9-16)18-14)8-7-11-3-5-12(17)6-4-11/h3-6H,7-9H2,1-2H3.
What are the key properties of 5-(chloromethyl)-6-[2-(4-chlorophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazole?
5-(chloromethyl)-6-[2-(4-chlorophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazole has a molecular weight of 323.23 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-6-[2-(4-chlorophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazole is sourced from PubChem (CID 79276825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).