1-benzyl-4,5-dihydrobenzo[g]indazole-3-carbaldehyde

C19H16N2O — CID 134834289

IUPAC1-benzyl-4,5-dihydrobenzo[g]indazole-3-carbaldehyde
SMILESO=Cc1nn(Cc2ccccc2)c2c1CCc1ccccc1-2
InChIInChI=1S/C19H16N2O/c22-13-18-17-11-10-15-8-4-5-9-16(15)19(17)21(20-18)12-14-6-2-1-3-7-14/h1-9,13H,10-12H2
InChIKeyMBISNZHUPXJIOG-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.51
Rot. Bonds3

About 1-benzyl-4,5-dihydrobenzo[g]indazole-3-carbaldehyde

1-benzyl-4,5-dihydrobenzo[g]indazole-3-carbaldehyde (PubChem CID 134834289) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-benzyl-4,5-dihydrobenzo[g]indazole-3-carbaldehyde.

Molecular Properties

Compound Name1-benzyl-4,5-dihydrobenzo[g]indazole-3-carbaldehyde
PubChem CID134834289
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name1-benzyl-4,5-dihydrobenzo[g]indazole-3-carbaldehyde
SMILESO=Cc1nn(Cc2ccccc2)c2c1CCc1ccccc1-2
InChIInChI=1S/C19H16N2O/c22-13-18-17-11-10-15-8-4-5-9-16(15)19(17)21(20-18)12-14-6-2-1-3-7-14/h1-9,13H,10-12H2
InChIKeyMBISNZHUPXJIOG-UHFFFAOYSA-N
XLogP3.51
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4,5-dihydrobenzo[g]indazole
CID 134834345
ethyl 4-(2-benzyl-4,5-dihydrobenzo[g]indazol-3-yl)benzoate
CID 102417948
1-(2-methoxyethyl)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid
CID 28916964
1-benzyl-6,7-dimethyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid
CID 105422462
1-benzyl-5-chlorotriazole-4-carbaldehyde
CID 13413902
2-benzylindazole-3-carbaldehyde
CID 122574247
2-benzyl-5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazole;tert-butyl formate
CID 175790363
16-amino-13-benzyl-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,11,16-hexaen-14-one;13-benzyl-16-chloro-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,11,16-hexaen-14-one;methane
CID 162146085
1-benzyl-3-[(E)-prop-1-enyl]-4,5,6,7-tetrahydroindazole
CID 143116710
5-(2-chlorophenyl)-1-[(3-fluorophenyl)methyl]triazole-4-carbaldehyde
CID 94946381
CID 11374895
CID 11374895
1-benzyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 59836272

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,5-dihydrobenzo[g]indazole-3-carbaldehyde?
The IUPAC name of 1-benzyl-4,5-dihydrobenzo[g]indazole-3-carbaldehyde (CID 134834289) is 1-benzyl-4,5-dihydrobenzo[g]indazole-3-carbaldehyde.
What is the SMILES notation for 1-benzyl-4,5-dihydrobenzo[g]indazole-3-carbaldehyde?
The canonical SMILES for 1-benzyl-4,5-dihydrobenzo[g]indazole-3-carbaldehyde is O=Cc1nn(Cc2ccccc2)c2c1CCc1ccccc1-2.
What is the InChIKey of 1-benzyl-4,5-dihydrobenzo[g]indazole-3-carbaldehyde?
The InChIKey is MBISNZHUPXJIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c22-13-18-17-11-10-15-8-4-5-9-16(15)19(17)21(20-18)12-14-6-2-1-3-7-14/h1-9,13H,10-12H2.
What are the key properties of 1-benzyl-4,5-dihydrobenzo[g]indazole-3-carbaldehyde?
1-benzyl-4,5-dihydrobenzo[g]indazole-3-carbaldehyde has a molecular weight of 288.35 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,5-dihydrobenzo[g]indazole-3-carbaldehyde is sourced from PubChem (CID 134834289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).