ethyl 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxylate

C16H15N3O2 — CID 135412762

IUPACethyl 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3
InChIInChI=1S/C16H15N3O2/c1-2-21-16(20)9-4-6-13-12(7-9)11-5-3-10-8-17-19-14(10)15(11)18-13/h4,6-8,18H,2-3,5H2,1H3,(H,17,19)
InChIKeyLEERDLFLERDWIL-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.83
Rot. Bonds2

About ethyl 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxylate

ethyl 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxylate (PubChem CID 135412762) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is ethyl 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxylate.

Molecular Properties

Compound Nameethyl 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxylate
PubChem CID135412762
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Nameethyl 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3
InChIInChI=1S/C16H15N3O2/c1-2-21-16(20)9-4-6-13-12(7-9)11-5-3-10-8-17-19-14(10)15(11)18-13/h4,6-8,18H,2-3,5H2,1H3,(H,17,19)
InChIKeyLEERDLFLERDWIL-UHFFFAOYSA-N
XLogP2.83
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze ethyl 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-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

1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide
CID 135526980
N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide
CID 135516734
N-(2-anilinoethyl)-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide
CID 135465614
N-[2-(1H-imidazol-5-yl)ethyl]-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide
CID 135474390
ethyl (7E)-7-(dimethylaminomethylidene)-6-oxo-5,8,9,10-tetrahydrocyclohepta[b]indole-2-carboxylate
CID 69497456
ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate
CID 7453721
methyl 6,11-dihydro-5H-benzo[a]carbazole-8-carboxylate
CID 154810461
ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate
CID 165353814
diethyl 5H-pyrimido[5,4-b]indole-2,8-dicarboxylate
CID 54006151
6-ethoxycarbonyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 21452698
ethyl (8R)-8-cyano-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 26342306
ethyl 7-formyl-5,5-dimethyl-8-oxo-7,9-dihydro-6H-carbazole-3-carboxylate
CID 89418834

Frequently Asked Questions

What is the IUPAC name of ethyl 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxylate?
The IUPAC name of ethyl 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxylate (CID 135412762) is ethyl 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxylate.
What is the SMILES notation for ethyl 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxylate?
The canonical SMILES for ethyl 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxylate is CCOC(=O)c1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3.
What is the InChIKey of ethyl 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxylate?
The InChIKey is LEERDLFLERDWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-21-16(20)9-4-6-13-12(7-9)11-5-3-10-8-17-19-14(10)15(11)18-13/h4,6-8,18H,2-3,5H2,1H3,(H,17,19).
What are the key properties of ethyl 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxylate?
ethyl 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxylate has a molecular weight of 281.32 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxylate is sourced from PubChem (CID 135412762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).