1,3-diphenyl-4,5,6,7-tetrahydroindazole

C19H18N2 — CID 15453871

IUPAC1,3-diphenyl-4,5,6,7-tetrahydroindazole
SMILESc1ccc(-c2nn(-c3ccccc3)c3c2CCCC3)cc1
InChIInChI=1S/C19H18N2/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21(20-19)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChIKeyQREZHCGVGKVZBI-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.42
Rot. Bonds2

About 1,3-diphenyl-4,5,6,7-tetrahydroindazole

1,3-diphenyl-4,5,6,7-tetrahydroindazole (PubChem CID 15453871) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 1,3-diphenyl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1,3-diphenyl-4,5,6,7-tetrahydroindazole
PubChem CID15453871
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name1,3-diphenyl-4,5,6,7-tetrahydroindazole
SMILESc1ccc(-c2nn(-c3ccccc3)c3c2CCCC3)cc1
InChIInChI=1S/C19H18N2/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21(20-19)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChIKeyQREZHCGVGKVZBI-UHFFFAOYSA-N
XLogP4.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1,3-diphenyl-4,5,6,7-tetrahydroindazole (CID 15453871) is 1,3-diphenyl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1,3-diphenyl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1,3-diphenyl-4,5,6,7-tetrahydroindazole is c1ccc(-c2nn(-c3ccccc3)c3c2CCCC3)cc1.
What is the InChIKey of 1,3-diphenyl-4,5,6,7-tetrahydroindazole?
The InChIKey is QREZHCGVGKVZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21(20-19)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2.
What are the key properties of 1,3-diphenyl-4,5,6,7-tetrahydroindazole?
1,3-diphenyl-4,5,6,7-tetrahydroindazole has a molecular weight of 274.37 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 15453871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).