3,6-dimethyl-1,4-diphenyl-4,5-dihydroindazole

C21H20N2 — CID 44613446

IUPAC3,6-dimethyl-1,4-diphenyl-4,5-dihydroindazole
SMILESCC1=Cc2c(c(C)nn2-c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C21H20N2/c1-15-13-19(17-9-5-3-6-10-17)21-16(2)22-23(20(21)14-15)18-11-7-4-8-12-18/h3-12,14,19H,13H2,1-2H3
InChIKeyGKAMZDTUZCJURA-UHFFFAOYSA-N
MW300.41 g/mol
LogP5.12
Rot. Bonds2

About 3,6-dimethyl-1,4-diphenyl-4,5-dihydroindazole

3,6-dimethyl-1,4-diphenyl-4,5-dihydroindazole (PubChem CID 44613446) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 3,6-dimethyl-1,4-diphenyl-4,5-dihydroindazole.

Molecular Properties

Compound Name3,6-dimethyl-1,4-diphenyl-4,5-dihydroindazole
PubChem CID44613446
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC Name3,6-dimethyl-1,4-diphenyl-4,5-dihydroindazole
SMILESCC1=Cc2c(c(C)nn2-c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C21H20N2/c1-15-13-19(17-9-5-3-6-10-17)21-16(2)22-23(20(21)14-15)18-11-7-4-8-12-18/h3-12,14,19H,13H2,1-2H3
InChIKeyGKAMZDTUZCJURA-UHFFFAOYSA-N
XLogP5.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.41
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Difenzoquat
CID 39425
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CID 4874234
1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
CID 818484
Dimethylphenylpyrazole
CID 70800
Sant-1
CID 6878030
3,5-ditert-butyl-1-phenyl-1H-pyrazole
CID 1240104
2-(3,5-dimethyl-1H-pyrazol-1-yl)benzonitrile
CID 2804987
1,4,5,7-Tetramethyl-6-(4-methylphenyl)pyrrolo[3,4-d]pyridazine
CID 921199
1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole
CID 10424186
1,3,5-Triphenylpyrazole
CID 626614

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1,4-diphenyl-4,5-dihydroindazole?
The IUPAC name of 3,6-dimethyl-1,4-diphenyl-4,5-dihydroindazole (CID 44613446) is 3,6-dimethyl-1,4-diphenyl-4,5-dihydroindazole.
What is the SMILES notation for 3,6-dimethyl-1,4-diphenyl-4,5-dihydroindazole?
The canonical SMILES for 3,6-dimethyl-1,4-diphenyl-4,5-dihydroindazole is CC1=Cc2c(c(C)nn2-c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of 3,6-dimethyl-1,4-diphenyl-4,5-dihydroindazole?
The InChIKey is GKAMZDTUZCJURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2/c1-15-13-19(17-9-5-3-6-10-17)21-16(2)22-23(20(21)14-15)18-11-7-4-8-12-18/h3-12,14,19H,13H2,1-2H3.
What are the key properties of 3,6-dimethyl-1,4-diphenyl-4,5-dihydroindazole?
3,6-dimethyl-1,4-diphenyl-4,5-dihydroindazole has a molecular weight of 300.41 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1,4-diphenyl-4,5-dihydroindazole is sourced from PubChem (CID 44613446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).