2-benzyl-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole

C21H20N2 — CID 102417951

IUPAC2-benzyl-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole
SMILESC=CCc1c2c(nn1Cc1ccccc1)-c1ccccc1CC2
InChIInChI=1S/C21H20N2/c1-2-8-20-19-14-13-17-11-6-7-12-18(17)21(19)22-23(20)15-16-9-4-3-5-10-16/h2-7,9-12H,1,8,13-15H2
InChIKeyLCBYNMMRQQNDAQ-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.43
Rot. Bonds4

About 2-benzyl-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole

2-benzyl-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole (PubChem CID 102417951) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-benzyl-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole.

Molecular Properties

Compound Name2-benzyl-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole
PubChem CID102417951
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC Name2-benzyl-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole
SMILESC=CCc1c2c(nn1Cc1ccccc1)-c1ccccc1CC2
InChIInChI=1S/C21H20N2/c1-2-8-20-19-14-13-17-11-6-7-12-18(17)21(19)22-23(20)15-16-9-4-3-5-10-16/h2-7,9-12H,1,8,13-15H2
InChIKeyLCBYNMMRQQNDAQ-UHFFFAOYSA-N
XLogP4.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

AS-19
CID 23642275
Difenzoquat
CID 39425
E-55888
CID 24825775
2-Benzyl-3-phenyl-7-(trifluoromethyl)-2H-indazole
CID 25137977
2-[(2,4-dimethylphenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole
CID 25137978
1-Methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole
CID 11573361
1,3-Diphenyl-4,5,6,7-tetrahydro-1H-indazole
CID 15453871
3-(4-fluorophenyl)-5-methyl-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 44383830
1h-Pyrazolo[4,3-c]pyridine,3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-(phenylmethyl)-,hydrochloride
CID 45263015
1h-Pyrazolo[4,3-c]pyridine,3-(4-fluorophenyl)-4,5,6,7-tetrahydro-5-(1-methylethyl)-1-(phenylmethyl)-
CID 44385342
3-(4-fluorophenyl)-5-methyl-1-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
CID 45263098
1h-Pyrazolo[4,3-c]pyridine,5-cyclopentyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-(phenylmethyl)-,hydrochloride
CID 45263110

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole?
The IUPAC name of 2-benzyl-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole (CID 102417951) is 2-benzyl-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole.
What is the SMILES notation for 2-benzyl-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole?
The canonical SMILES for 2-benzyl-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole is C=CCc1c2c(nn1Cc1ccccc1)-c1ccccc1CC2.
What is the InChIKey of 2-benzyl-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole?
The InChIKey is LCBYNMMRQQNDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2/c1-2-8-20-19-14-13-17-11-6-7-12-18(17)21(19)22-23(20)15-16-9-4-3-5-10-16/h2-7,9-12H,1,8,13-15H2.
What are the key properties of 2-benzyl-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole?
2-benzyl-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole has a molecular weight of 300.41 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole is sourced from PubChem (CID 102417951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).