ethane;3-(2-ethoxyethenyl)-4-methyl-2-(4-methylphenyl)indazole;4-methyl-2-(4-methylphenyl)indazole

C38H46N4O — CID 123623557

IUPACethane;3-(2-ethoxyethenyl)-4-methyl-2-(4-methylphenyl)indazole;4-methyl-2-(4-methylphenyl)indazole
SMILESCC.CC.CCOC=Cc1c2c(C)cccc2nn1-c1ccc(C)cc1.Cc1ccc(-n2cc3c(C)cccc3n2)cc1
InChIInChI=1S/C19H20N2O.C15H14N2.2C2H6/c1-4-22-13-12-18-19-15(3)6-5-7-17(19)20-21(18)16-10-8-14(2)9-11-16;1-11-6-8-13(9-7-11)17-10-14-12(2)4-3-5-15(14)16-17;2*1-2/h5-13H,4H2,1-3H3;3-10H,1-2H3;2*1-2H3
InChIKeyOEGMMOMJYDLCMO-UHFFFAOYSA-N
MW574.81 g/mol
LogP10.34
Rot. Bonds5

About ethane;3-(2-ethoxyethenyl)-4-methyl-2-(4-methylphenyl)indazole;4-methyl-2-(4-methylphenyl)indazole

ethane;3-(2-ethoxyethenyl)-4-methyl-2-(4-methylphenyl)indazole;4-methyl-2-(4-methylphenyl)indazole (PubChem CID 123623557) has the molecular formula C38H46N4O and a molecular weight of 574.81 g/mol. Its IUPAC name is ethane;3-(2-ethoxyethenyl)-4-methyl-2-(4-methylphenyl)indazole;4-methyl-2-(4-methylphenyl)indazole.

Molecular Properties

Compound Nameethane;3-(2-ethoxyethenyl)-4-methyl-2-(4-methylphenyl)indazole;4-methyl-2-(4-methylphenyl)indazole
PubChem CID123623557
Molecular FormulaC38H46N4O
Molecular Weight574.81 g/mol
Exact Mass574.37
IUPAC Nameethane;3-(2-ethoxyethenyl)-4-methyl-2-(4-methylphenyl)indazole;4-methyl-2-(4-methylphenyl)indazole
SMILESCC.CC.CCOC=Cc1c2c(C)cccc2nn1-c1ccc(C)cc1.Cc1ccc(-n2cc3c(C)cccc3n2)cc1
InChIInChI=1S/C19H20N2O.C15H14N2.2C2H6/c1-4-22-13-12-18-19-15(3)6-5-7-17(19)20-21(18)16-10-8-14(2)9-11-16;1-11-6-8-13(9-7-11)17-10-14-12(2)4-3-5-15(14)16-17;2*1-2/h5-13H,4H2,1-3H3;3-10H,1-2H3;2*1-2H3
InChIKeyOEGMMOMJYDLCMO-UHFFFAOYSA-N
XLogP10.34
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.81
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-Naphthalen-2-ylindazole
CID 72197238
2-(1-Naphthalenyl)-2H-indazole
CID 72567193
2-(3,4-Dimethylphenyl)indazole
CID 135041942
1-[2-[2-[2-[2-(3-Methylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3-(trifluoromethyl)pyrazole
CID 70790409
2-[4-Phenyl-3-(trifluoromethyl)phenyl]indazole
CID 141101539
4-(3,5-Difluoro-4-methylphenyl)-2-[4-[2,6-difluoro-4-(2-propan-2-ylindazol-4-yl)phenyl]-3-methylbutan-2-yl]indazole
CID 166076404
4-[4-[2-[4-(4-Ethyl-3-fluorophenyl)indazol-2-yl]ethyl]-3-fluorophenyl]-2,7-dimethylindazole
CID 166076542
5-(1,3-Dibenzylpyrrolidin-3-yl)-1-(4-fluorophenyl)-6-methylindazole
CID 166916702
4-[1-[4-[1-(4-Tert-butyl-3,5-dimethylindazol-1-yl)-2-methylpropan-2-yl]-5-methylindazol-1-yl]-2-methylpropan-2-yl]-6-fluoronaphthalen-2-amine
CID 169948864
1-[1-(2-Pyrazol-1-ylnaphthalen-1-yl)naphthalen-2-yl]pyrazole
CID 42603894
6-(1-Benzylindol-5-yl)-2-methylindazole
CID 162413674
2-(2,3-Dimethylphenyl)indazole
CID 166437954

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-ethoxyethenyl)-4-methyl-2-(4-methylphenyl)indazole;4-methyl-2-(4-methylphenyl)indazole?
The IUPAC name of ethane;3-(2-ethoxyethenyl)-4-methyl-2-(4-methylphenyl)indazole;4-methyl-2-(4-methylphenyl)indazole (CID 123623557) is ethane;3-(2-ethoxyethenyl)-4-methyl-2-(4-methylphenyl)indazole;4-methyl-2-(4-methylphenyl)indazole.
What is the SMILES notation for ethane;3-(2-ethoxyethenyl)-4-methyl-2-(4-methylphenyl)indazole;4-methyl-2-(4-methylphenyl)indazole?
The canonical SMILES for ethane;3-(2-ethoxyethenyl)-4-methyl-2-(4-methylphenyl)indazole;4-methyl-2-(4-methylphenyl)indazole is CC.CC.CCOC=Cc1c2c(C)cccc2nn1-c1ccc(C)cc1.Cc1ccc(-n2cc3c(C)cccc3n2)cc1.
What is the InChIKey of ethane;3-(2-ethoxyethenyl)-4-methyl-2-(4-methylphenyl)indazole;4-methyl-2-(4-methylphenyl)indazole?
The InChIKey is OEGMMOMJYDLCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O.C15H14N2.2C2H6/c1-4-22-13-12-18-19-15(3)6-5-7-17(19)20-21(18)16-10-8-14(2)9-11-16;1-11-6-8-13(9-7-11)17-10-14-12(2)4-3-5-15(14)16-17;2*1-2/h5-13H,4H2,1-3H3;3-10H,1-2H3;2*1-2H3.
What are the key properties of ethane;3-(2-ethoxyethenyl)-4-methyl-2-(4-methylphenyl)indazole;4-methyl-2-(4-methylphenyl)indazole?
ethane;3-(2-ethoxyethenyl)-4-methyl-2-(4-methylphenyl)indazole;4-methyl-2-(4-methylphenyl)indazole has a molecular weight of 574.81 g/mol, XLogP of 10.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-ethoxyethenyl)-4-methyl-2-(4-methylphenyl)indazole;4-methyl-2-(4-methylphenyl)indazole is sourced from PubChem (CID 123623557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).