ethyl 2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole-3-carboxylate

C16H15N3O2 — CID 135432839

IUPACethyl 2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole-3-carboxylate
SMILESCCOC(=O)c1[nH]nc2c1CCc1c-2[nH]c2ccccc12
InChIInChI=1S/C16H15N3O2/c1-2-21-16(20)15-11-8-7-10-9-5-3-4-6-12(9)17-13(10)14(11)18-19-15/h3-6,17H,2,7-8H2,1H3,(H,18,19)
InChIKeyQHWAAKZCUILDML-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.83
Rot. Bonds2

About ethyl 2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole-3-carboxylate

ethyl 2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole-3-carboxylate (PubChem CID 135432839) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is ethyl 2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole-3-carboxylate
PubChem CID135432839
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Nameethyl 2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole-3-carboxylate
SMILESCCOC(=O)c1[nH]nc2c1CCc1c-2[nH]c2ccccc12
InChIInChI=1S/C16H15N3O2/c1-2-21-16(20)15-11-8-7-10-9-5-3-4-6-12(9)17-13(10)14(11)18-19-15/h3-6,17H,2,7-8H2,1H3,(H,18,19)
InChIKeyQHWAAKZCUILDML-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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole-3-carboxylate?
The IUPAC name of ethyl 2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole-3-carboxylate (CID 135432839) is ethyl 2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole-3-carboxylate.
What is the SMILES notation for ethyl 2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole-3-carboxylate?
The canonical SMILES for ethyl 2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole-3-carboxylate is CCOC(=O)c1[nH]nc2c1CCc1c-2[nH]c2ccccc12.
What is the InChIKey of ethyl 2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole-3-carboxylate?
The InChIKey is QHWAAKZCUILDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-21-16(20)15-11-8-7-10-9-5-3-4-6-12(9)17-13(10)14(11)18-19-15/h3-6,17H,2,7-8H2,1H3,(H,18,19).
What are the key properties of ethyl 2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole-3-carboxylate?
ethyl 2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole-3-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 2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole-3-carboxylate is sourced from PubChem (CID 135432839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).