tert-butyl 4,5-dihydrobenzo[g]indazole-2-carboxylate

C16H18N2O2 — CID 102417939

IUPACtert-butyl 4,5-dihydrobenzo[g]indazole-2-carboxylate
SMILESCC(C)(C)OC(=O)n1cc2c(n1)-c1ccccc1CC2
InChIInChI=1S/C16H18N2O2/c1-16(2,3)20-15(19)18-10-12-9-8-11-6-4-5-7-13(11)14(12)17-18/h4-7,10H,8-9H2,1-3H3
InChIKeyJXAFITZKWRNLDD-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.43
Rot. Bonds

About tert-butyl 4,5-dihydrobenzo[g]indazole-2-carboxylate

tert-butyl 4,5-dihydrobenzo[g]indazole-2-carboxylate (PubChem CID 102417939) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is tert-butyl 4,5-dihydrobenzo[g]indazole-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 4,5-dihydrobenzo[g]indazole-2-carboxylate
PubChem CID102417939
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Nametert-butyl 4,5-dihydrobenzo[g]indazole-2-carboxylate
SMILESCC(C)(C)OC(=O)n1cc2c(n1)-c1ccccc1CC2
InChIInChI=1S/C16H18N2O2/c1-16(2,3)20-15(19)18-10-12-9-8-11-6-4-5-7-13(11)14(12)17-18/h4-7,10H,8-9H2,1-3H3
InChIKeyJXAFITZKWRNLDD-UHFFFAOYSA-N
XLogP3.43
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4,5-dihydrobenzo[g]indazole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Ethoxymethyl)-4,5-dihydrobenzo[g]indazole
CID 102417952
1-(Ethoxymethyl)-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole
CID 134834477
2-(Ethoxymethyl)-4,5-dihydrobenzo[g]indazole
CID 134834501
tert-butyl N-fluoro-N-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]carbamate
CID 118377212
tert-butyl 3-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 121484033
tert-butyl 3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 121484260
tert-butyl 3-(2,4-difluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122419936
tert-butyl 3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122419939
tert-butyl (6R)-3-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122419944
tert-butyl 3-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122419947
tert-butyl (6S)-3-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122419949
tert-butyl 3-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122419994

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4,5-dihydrobenzo[g]indazole-2-carboxylate?
The IUPAC name of tert-butyl 4,5-dihydrobenzo[g]indazole-2-carboxylate (CID 102417939) is tert-butyl 4,5-dihydrobenzo[g]indazole-2-carboxylate.
What is the SMILES notation for tert-butyl 4,5-dihydrobenzo[g]indazole-2-carboxylate?
The canonical SMILES for tert-butyl 4,5-dihydrobenzo[g]indazole-2-carboxylate is CC(C)(C)OC(=O)n1cc2c(n1)-c1ccccc1CC2.
What is the InChIKey of tert-butyl 4,5-dihydrobenzo[g]indazole-2-carboxylate?
The InChIKey is JXAFITZKWRNLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(2,3)20-15(19)18-10-12-9-8-11-6-4-5-7-13(11)14(12)17-18/h4-7,10H,8-9H2,1-3H3.
What are the key properties of tert-butyl 4,5-dihydrobenzo[g]indazole-2-carboxylate?
tert-butyl 4,5-dihydrobenzo[g]indazole-2-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4,5-dihydrobenzo[g]indazole-2-carboxylate is sourced from PubChem (CID 102417939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).