7-methyl-3-(4-phenylphenyl)-7,7a-dihydro-1H-indazole

C20H18N2 — CID 118508944

IUPAC7-methyl-3-(4-phenylphenyl)-7,7a-dihydro-1H-indazole
SMILESCC1C=CC=C2C(c3ccc(-c4ccccc4)cc3)=NNC21
InChIInChI=1S/C20H18N2/c1-14-6-5-9-18-19(14)21-22-20(18)17-12-10-16(11-13-17)15-7-3-2-4-8-15/h2-14,19,21H,1H3
InChIKeyITACQEAUFQJJFN-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.16
Rot. Bonds2

About 7-methyl-3-(4-phenylphenyl)-7,7a-dihydro-1H-indazole

7-methyl-3-(4-phenylphenyl)-7,7a-dihydro-1H-indazole (PubChem CID 118508944) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 7-methyl-3-(4-phenylphenyl)-7,7a-dihydro-1H-indazole.

Molecular Properties

Compound Name7-methyl-3-(4-phenylphenyl)-7,7a-dihydro-1H-indazole
PubChem CID118508944
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name7-methyl-3-(4-phenylphenyl)-7,7a-dihydro-1H-indazole
SMILESCC1C=CC=C2C(c3ccc(-c4ccccc4)cc3)=NNC21
InChIInChI=1S/C20H18N2/c1-14-6-5-9-18-19(14)21-22-20(18)17-12-10-16(11-13-17)15-7-3-2-4-8-15/h2-14,19,21H,1H3
InChIKeyITACQEAUFQJJFN-UHFFFAOYSA-N
XLogP4.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(4-phenylphenyl)-7,7a-dihydro-1H-indazole?
The IUPAC name of 7-methyl-3-(4-phenylphenyl)-7,7a-dihydro-1H-indazole (CID 118508944) is 7-methyl-3-(4-phenylphenyl)-7,7a-dihydro-1H-indazole.
What is the SMILES notation for 7-methyl-3-(4-phenylphenyl)-7,7a-dihydro-1H-indazole?
The canonical SMILES for 7-methyl-3-(4-phenylphenyl)-7,7a-dihydro-1H-indazole is CC1C=CC=C2C(c3ccc(-c4ccccc4)cc3)=NNC21.
What is the InChIKey of 7-methyl-3-(4-phenylphenyl)-7,7a-dihydro-1H-indazole?
The InChIKey is ITACQEAUFQJJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2/c1-14-6-5-9-18-19(14)21-22-20(18)17-12-10-16(11-13-17)15-7-3-2-4-8-15/h2-14,19,21H,1H3.
What are the key properties of 7-methyl-3-(4-phenylphenyl)-7,7a-dihydro-1H-indazole?
7-methyl-3-(4-phenylphenyl)-7,7a-dihydro-1H-indazole has a molecular weight of 286.38 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(4-phenylphenyl)-7,7a-dihydro-1H-indazole is sourced from PubChem (CID 118508944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).