1-benzyl-3-phenyl-2,3-dihydroindazole

C20H18N2 — CID 173105604

IUPAC1-benzyl-3-phenyl-2,3-dihydroindazole
SMILESc1ccc(CN2NC(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C20H18N2/c1-3-9-16(10-4-1)15-22-19-14-8-7-13-18(19)20(21-22)17-11-5-2-6-12-17/h1-14,20-21H,15H2
InChIKeyUHUSGAPEGCFYNG-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.30
Rot. Bonds3

About 1-benzyl-3-phenyl-2,3-dihydroindazole

1-benzyl-3-phenyl-2,3-dihydroindazole (PubChem CID 173105604) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-benzyl-3-phenyl-2,3-dihydroindazole.

Molecular Properties

Compound Name1-benzyl-3-phenyl-2,3-dihydroindazole
PubChem CID173105604
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name1-benzyl-3-phenyl-2,3-dihydroindazole
SMILESc1ccc(CN2NC(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C20H18N2/c1-3-9-16(10-4-1)15-22-19-14-8-7-13-18(19)20(21-22)17-11-5-2-6-12-17/h1-14,20-21H,15H2
InChIKeyUHUSGAPEGCFYNG-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-phenyl-2,3-dihydroindazole?
The IUPAC name of 1-benzyl-3-phenyl-2,3-dihydroindazole (CID 173105604) is 1-benzyl-3-phenyl-2,3-dihydroindazole.
What is the SMILES notation for 1-benzyl-3-phenyl-2,3-dihydroindazole?
The canonical SMILES for 1-benzyl-3-phenyl-2,3-dihydroindazole is c1ccc(CN2NC(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 1-benzyl-3-phenyl-2,3-dihydroindazole?
The InChIKey is UHUSGAPEGCFYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2/c1-3-9-16(10-4-1)15-22-19-14-8-7-13-18(19)20(21-22)17-11-5-2-6-12-17/h1-14,20-21H,15H2.
What are the key properties of 1-benzyl-3-phenyl-2,3-dihydroindazole?
1-benzyl-3-phenyl-2,3-dihydroindazole has a molecular weight of 286.38 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-phenyl-2,3-dihydroindazole is sourced from PubChem (CID 173105604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).