5-methyl-2-(4-methylphenyl)-3-phenylindazole

C21H18N2 — CID 177414447

IUPAC5-methyl-2-(4-methylphenyl)-3-phenylindazole
SMILESCc1ccc(-n2nc3ccc(C)cc3c2-c2ccccc2)cc1
InChIInChI=1S/C21H18N2/c1-15-8-11-18(12-9-15)23-21(17-6-4-3-5-7-17)19-14-16(2)10-13-20(19)22-23/h3-14H,1-2H3
InChIKeyKULUGEKGVUWOLR-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.31
Rot. Bonds2

About 5-methyl-2-(4-methylphenyl)-3-phenylindazole

5-methyl-2-(4-methylphenyl)-3-phenylindazole (PubChem CID 177414447) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)-3-phenylindazole.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)-3-phenylindazole
PubChem CID177414447
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name5-methyl-2-(4-methylphenyl)-3-phenylindazole
SMILESCc1ccc(-n2nc3ccc(C)cc3c2-c2ccccc2)cc1
InChIInChI=1S/C21H18N2/c1-15-8-11-18(12-9-15)23-21(17-6-4-3-5-7-17)19-14-16(2)10-13-20(19)22-23/h3-14H,1-2H3
InChIKeyKULUGEKGVUWOLR-UHFFFAOYSA-N
XLogP5.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-2-(4-methylphenyl)indazole
CID 102171716
2,6-dimethyl-4-(3-phenylindazol-2-yl)phenol
CID 102113609
2-(4-methylphenyl)-1,3-diphenylisoindole
CID 66688273
1,3-bis(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3816890
4-chloro-3,5-bis(3-methylphenyl)-1-(4-methylphenyl)pyrazole
CID 19587079
2-(3-ethylphenyl)-3-phenylindazole
CID 169225849
1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
CID 56589754
4-bromo-1,3,5-tris(4-methylphenyl)pyrazole
CID 19586848
2,5-dimethyl-1,3-diphenylisoindole
CID 4267799
1-(3-chloro-4-methylphenyl)-8-methyl-3-phenylpyrazolo[4,3-c]quinoline
CID 20852726
4-(4-methylphenyl)selanyl-1,3,5-triphenylpyrazole
CID 146162067
6-methyl-3-phenyl-1,2,3-benzotriazin-4-one
CID 132525992

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)-3-phenylindazole?
The IUPAC name of 5-methyl-2-(4-methylphenyl)-3-phenylindazole (CID 177414447) is 5-methyl-2-(4-methylphenyl)-3-phenylindazole.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)-3-phenylindazole?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)-3-phenylindazole is Cc1ccc(-n2nc3ccc(C)cc3c2-c2ccccc2)cc1.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)-3-phenylindazole?
The InChIKey is KULUGEKGVUWOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c1-15-8-11-18(12-9-15)23-21(17-6-4-3-5-7-17)19-14-16(2)10-13-20(19)22-23/h3-14H,1-2H3.
What are the key properties of 5-methyl-2-(4-methylphenyl)-3-phenylindazole?
5-methyl-2-(4-methylphenyl)-3-phenylindazole has a molecular weight of 298.39 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)-3-phenylindazole is sourced from PubChem (CID 177414447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).