3-methyl-5-(methylperoxymethyl)-1-phenylindazole

C16H16N2O2 — CID 89261664

IUPAC3-methyl-5-(methylperoxymethyl)-1-phenylindazole
SMILESCOOCc1ccc2c(c1)c(C)nn2-c1ccccc1
InChIInChI=1S/C16H16N2O2/c1-12-15-10-13(11-20-19-2)8-9-16(15)18(17-12)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyLGEAGLAZRHYFJY-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.41
Rot. Bonds4

About 3-methyl-5-(methylperoxymethyl)-1-phenylindazole

3-methyl-5-(methylperoxymethyl)-1-phenylindazole (PubChem CID 89261664) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-methyl-5-(methylperoxymethyl)-1-phenylindazole.

Molecular Properties

Compound Name3-methyl-5-(methylperoxymethyl)-1-phenylindazole
PubChem CID89261664
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-methyl-5-(methylperoxymethyl)-1-phenylindazole
SMILESCOOCc1ccc2c(c1)c(C)nn2-c1ccccc1
InChIInChI=1S/C16H16N2O2/c1-12-15-10-13(11-20-19-2)8-9-16(15)18(17-12)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyLGEAGLAZRHYFJY-UHFFFAOYSA-N
XLogP3.41
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-phenylindazol-5-ol
CID 105481865
6-bromo-3-methyl-1-phenylindazole
CID 67449853
3-methyl-5-oxido-1,6-diphenylpyrazolo[4,3-c]pyridin-5-ium
CID 56594976
N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 2355904
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]phenol
CID 1478286
3-methyl-1-phenyl-6-thiophen-3-ylpyrazolo[4,3-c]pyridine
CID 56594970
(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 7913575
3-(3-methylindazol-1-yl)benzaldehyde
CID 105497706
(3-fluoro-4-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8576074
4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium
CID 176877441
3-methyl-1-phenylpyrazolo[4,5-b]pyridine
CID 76847108
(4-tert-butylphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 7913484

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(methylperoxymethyl)-1-phenylindazole?
The IUPAC name of 3-methyl-5-(methylperoxymethyl)-1-phenylindazole (CID 89261664) is 3-methyl-5-(methylperoxymethyl)-1-phenylindazole.
What is the SMILES notation for 3-methyl-5-(methylperoxymethyl)-1-phenylindazole?
The canonical SMILES for 3-methyl-5-(methylperoxymethyl)-1-phenylindazole is COOCc1ccc2c(c1)c(C)nn2-c1ccccc1.
What is the InChIKey of 3-methyl-5-(methylperoxymethyl)-1-phenylindazole?
The InChIKey is LGEAGLAZRHYFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-12-15-10-13(11-20-19-2)8-9-16(15)18(17-12)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3.
What are the key properties of 3-methyl-5-(methylperoxymethyl)-1-phenylindazole?
3-methyl-5-(methylperoxymethyl)-1-phenylindazole has a molecular weight of 268.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(methylperoxymethyl)-1-phenylindazole is sourced from PubChem (CID 89261664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).