5-O-tert-butyl 7-O-ethyl 1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5,7-dicarboxylate

C15H23N3O4 — CID 156621195

IUPAC5-O-tert-butyl 7-O-ethyl 1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5,7-dicarboxylate
SMILESCCOC(=O)C1CN(C(=O)OC(C)(C)C)Cc2cnn(C)c21
InChIInChI=1S/C15H23N3O4/c1-6-21-13(19)11-9-18(14(20)22-15(2,3)4)8-10-7-16-17(5)12(10)11/h7,11H,6,8-9H2,1-5H3
InChIKeyGGGSBUGGVGPTMF-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.82
Rot. Bonds2

About 5-O-tert-butyl 7-O-ethyl 1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5,7-dicarboxylate

5-O-tert-butyl 7-O-ethyl 1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5,7-dicarboxylate (PubChem CID 156621195) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-O-tert-butyl 7-O-ethyl 1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5,7-dicarboxylate.

Molecular Properties

Compound Name5-O-tert-butyl 7-O-ethyl 1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5,7-dicarboxylate
PubChem CID156621195
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name5-O-tert-butyl 7-O-ethyl 1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5,7-dicarboxylate
SMILESCCOC(=O)C1CN(C(=O)OC(C)(C)C)Cc2cnn(C)c21
InChIInChI=1S/C15H23N3O4/c1-6-21-13(19)11-9-18(14(20)22-15(2,3)4)8-10-7-16-17(5)12(10)11/h7,11H,6,8-9H2,1-5H3
InChIKeyGGGSBUGGVGPTMF-UHFFFAOYSA-N
XLogP1.82
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-O-tert-butyl 7-O-ethyl 1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5,7-dicarboxylate?
The IUPAC name of 5-O-tert-butyl 7-O-ethyl 1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5,7-dicarboxylate (CID 156621195) is 5-O-tert-butyl 7-O-ethyl 1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5,7-dicarboxylate.
What is the SMILES notation for 5-O-tert-butyl 7-O-ethyl 1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5,7-dicarboxylate?
The canonical SMILES for 5-O-tert-butyl 7-O-ethyl 1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5,7-dicarboxylate is CCOC(=O)C1CN(C(=O)OC(C)(C)C)Cc2cnn(C)c21.
What is the InChIKey of 5-O-tert-butyl 7-O-ethyl 1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5,7-dicarboxylate?
The InChIKey is GGGSBUGGVGPTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-6-21-13(19)11-9-18(14(20)22-15(2,3)4)8-10-7-16-17(5)12(10)11/h7,11H,6,8-9H2,1-5H3.
What are the key properties of 5-O-tert-butyl 7-O-ethyl 1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5,7-dicarboxylate?
5-O-tert-butyl 7-O-ethyl 1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5,7-dicarboxylate has a molecular weight of 309.37 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-tert-butyl 7-O-ethyl 1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5,7-dicarboxylate is sourced from PubChem (CID 156621195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).