zinc;(1,2-dimethylindol-3-yl)-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)diazene;dichloride;hydrochloride

C21H24Cl3N5Zn — CID 170853821

IUPACzinc;(1,2-dimethylindol-3-yl)-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)diazene;dichloride;hydrochloride
SMILESCc1c(/N=N/C2=CC(C)N(C)N2c2ccccc2)c2ccccc2n1C.Cl.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C21H23N5.3ClH.Zn/c1-15-14-20(26(25(15)4)17-10-6-5-7-11-17)22-23-21-16(2)24(3)19-13-9-8-12-18(19)21;;;;/h5-15H,1-4H3;3*1H;/q;;;;+2/p-2/b23-22+;;;;
InChIKeyFFHDVAMQJJUHPP-VBJZDLSPSA-L
MW518.21 g/mol
LogP-0.41
Rot. Bonds3

About zinc;(1,2-dimethylindol-3-yl)-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)diazene;dichloride;hydrochloride

zinc;(1,2-dimethylindol-3-yl)-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)diazene;dichloride;hydrochloride (PubChem CID 170853821) has the molecular formula C21H24Cl3N5Zn and a molecular weight of 518.21 g/mol. Its IUPAC name is zinc;(1,2-dimethylindol-3-yl)-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)diazene;dichloride;hydrochloride.

Molecular Properties

Compound Namezinc;(1,2-dimethylindol-3-yl)-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)diazene;dichloride;hydrochloride
PubChem CID170853821
Molecular FormulaC21H24Cl3N5Zn
Molecular Weight518.21 g/mol
Exact Mass515.04
IUPAC Namezinc;(1,2-dimethylindol-3-yl)-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)diazene;dichloride;hydrochloride
SMILESCc1c(/N=N/C2=CC(C)N(C)N2c2ccccc2)c2ccccc2n1C.Cl.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C21H23N5.3ClH.Zn/c1-15-14-20(26(25(15)4)17-10-6-5-7-11-17)22-23-21-16(2)24(3)19-13-9-8-12-18(19)21;;;;/h5-15H,1-4H3;3*1H;/q;;;;+2/p-2/b23-22+;;;;
InChIKeyFFHDVAMQJJUHPP-VBJZDLSPSA-L
XLogP-0.41
TPSA36.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.21
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(3S)-2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl]-(2-methyl-1H-indol-3-yl)diazene
CID 136828025
(1,2-dimethylindol-3-yl)-(1,5-dimethyl-2-phenyl-1,3-dihydropyrazol-1-ium-3-yl)diazene acetate
CID 57356570
(1,2-dimethylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene
CID 87790627
ethane;1,2,3-trimethylindole
CID 91590745
5-[(1,2-dimethylindol-3-yl)diazenyl]-1-methylpyrazole-4-carbonitrile
CID 20744713
N-(1,2-dimethylindol-3-yl)-1-methylindazol-1-ium-3-imine
CID 59768777
(1,2-dimethylindol-3-yl)-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)diazene
CID 87592312
(1,2-dimethylindol-3-yl)-(3-methyl-5-nitro-1,3-thiazol-3-ium-2-yl)diazene chloride
CID 69224655
ethane;9-methylcarbazole;9-phenylcarbazole
CID 159293304
(1,2-dimethylindol-3-yl)-(3-methyl-5-nitro-1,3-thiazol-3-ium-2-yl)diazene
CID 68831616
2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-3-phenylquinazolin-4-one
CID 3101801
3-iodo-1,2-dimethylindole
CID 19093282

Frequently Asked Questions

What is the IUPAC name of zinc;(1,2-dimethylindol-3-yl)-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)diazene;dichloride;hydrochloride?
The IUPAC name of zinc;(1,2-dimethylindol-3-yl)-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)diazene;dichloride;hydrochloride (CID 170853821) is zinc;(1,2-dimethylindol-3-yl)-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)diazene;dichloride;hydrochloride.
What is the SMILES notation for zinc;(1,2-dimethylindol-3-yl)-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)diazene;dichloride;hydrochloride?
The canonical SMILES for zinc;(1,2-dimethylindol-3-yl)-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)diazene;dichloride;hydrochloride is Cc1c(/N=N/C2=CC(C)N(C)N2c2ccccc2)c2ccccc2n1C.Cl.[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;(1,2-dimethylindol-3-yl)-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)diazene;dichloride;hydrochloride?
The InChIKey is FFHDVAMQJJUHPP-VBJZDLSPSA-L. The full InChI is InChI=1S/C21H23N5.3ClH.Zn/c1-15-14-20(26(25(15)4)17-10-6-5-7-11-17)22-23-21-16(2)24(3)19-13-9-8-12-18(19)21;;;;/h5-15H,1-4H3;3*1H;/q;;;;+2/p-2/b23-22+;;;;.
What are the key properties of zinc;(1,2-dimethylindol-3-yl)-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)diazene;dichloride;hydrochloride?
zinc;(1,2-dimethylindol-3-yl)-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)diazene;dichloride;hydrochloride has a molecular weight of 518.21 g/mol, XLogP of -0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;(1,2-dimethylindol-3-yl)-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)diazene;dichloride;hydrochloride is sourced from PubChem (CID 170853821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).