(4R)-3-methyl-4,6-diphenyl-4,5-dihydro-2H-indazole

C20H18N2 — CID 7237542

IUPAC(4R)-3-methyl-4,6-diphenyl-4,5-dihydro-2H-indazole
SMILESCc1[nH]nc2c1[C@@H](c1ccccc1)CC(c1ccccc1)=C2
InChIInChI=1S/C20H18N2/c1-14-20-18(16-10-6-3-7-11-16)12-17(13-19(20)22-21-14)15-8-4-2-5-9-15/h2-11,13,18H,12H2,1H3,(H,21,22)/t18-/m1/s1
InChIKeyZUSIICUPKNHFQY-GOSISDBHSA-N
MW286.38 g/mol
LogP4.79
Rot. Bonds2

About (4R)-3-methyl-4,6-diphenyl-4,5-dihydro-2H-indazole

(4R)-3-methyl-4,6-diphenyl-4,5-dihydro-2H-indazole (PubChem CID 7237542) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (4R)-3-methyl-4,6-diphenyl-4,5-dihydro-2H-indazole.

Molecular Properties

Compound Name(4R)-3-methyl-4,6-diphenyl-4,5-dihydro-2H-indazole
PubChem CID7237542
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name(4R)-3-methyl-4,6-diphenyl-4,5-dihydro-2H-indazole
SMILESCc1[nH]nc2c1[C@@H](c1ccccc1)CC(c1ccccc1)=C2
InChIInChI=1S/C20H18N2/c1-14-20-18(16-10-6-3-7-11-16)12-17(13-19(20)22-21-14)15-8-4-2-5-9-15/h2-11,13,18H,12H2,1H3,(H,21,22)/t18-/m1/s1
InChIKeyZUSIICUPKNHFQY-GOSISDBHSA-N
XLogP4.79
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-methyl-4,6-diphenyl-4,5-dihydro-2H-indazole?
The IUPAC name of (4R)-3-methyl-4,6-diphenyl-4,5-dihydro-2H-indazole (CID 7237542) is (4R)-3-methyl-4,6-diphenyl-4,5-dihydro-2H-indazole.
What is the SMILES notation for (4R)-3-methyl-4,6-diphenyl-4,5-dihydro-2H-indazole?
The canonical SMILES for (4R)-3-methyl-4,6-diphenyl-4,5-dihydro-2H-indazole is Cc1[nH]nc2c1[C@@H](c1ccccc1)CC(c1ccccc1)=C2.
What is the InChIKey of (4R)-3-methyl-4,6-diphenyl-4,5-dihydro-2H-indazole?
The InChIKey is ZUSIICUPKNHFQY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H18N2/c1-14-20-18(16-10-6-3-7-11-16)12-17(13-19(20)22-21-14)15-8-4-2-5-9-15/h2-11,13,18H,12H2,1H3,(H,21,22)/t18-/m1/s1.
What are the key properties of (4R)-3-methyl-4,6-diphenyl-4,5-dihydro-2H-indazole?
(4R)-3-methyl-4,6-diphenyl-4,5-dihydro-2H-indazole has a molecular weight of 286.38 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-methyl-4,6-diphenyl-4,5-dihydro-2H-indazole is sourced from PubChem (CID 7237542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).