tert-butyl 1-(2-hydroxyethyl)-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate

C13H19N3O4 — CID 135376582

IUPACtert-butyl 1-(2-hydroxyethyl)-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)c2cnn(CCO)c2C1
InChIInChI=1S/C13H19N3O4/c1-13(2,3)20-12(19)15-7-10-9(11(18)8-15)6-14-16(10)4-5-17/h6,17H,4-5,7-8H2,1-3H3
InChIKeyGWXBFNDBHVWCCY-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.81
Rot. Bonds2

About tert-butyl 1-(2-hydroxyethyl)-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate

tert-butyl 1-(2-hydroxyethyl)-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate (PubChem CID 135376582) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is tert-butyl 1-(2-hydroxyethyl)-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(2-hydroxyethyl)-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate
PubChem CID135376582
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Nametert-butyl 1-(2-hydroxyethyl)-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)c2cnn(CCO)c2C1
InChIInChI=1S/C13H19N3O4/c1-13(2,3)20-12(19)15-7-10-9(11(18)8-15)6-14-16(10)4-5-17/h6,17H,4-5,7-8H2,1-3H3
InChIKeyGWXBFNDBHVWCCY-UHFFFAOYSA-N
XLogP0.81
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(2-hydroxyethyl)-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate?
The IUPAC name of tert-butyl 1-(2-hydroxyethyl)-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate (CID 135376582) is tert-butyl 1-(2-hydroxyethyl)-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 1-(2-hydroxyethyl)-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl 1-(2-hydroxyethyl)-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate is CC(C)(C)OC(=O)N1CC(=O)c2cnn(CCO)c2C1.
What is the InChIKey of tert-butyl 1-(2-hydroxyethyl)-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate?
The InChIKey is GWXBFNDBHVWCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-13(2,3)20-12(19)15-7-10-9(11(18)8-15)6-14-16(10)4-5-17/h6,17H,4-5,7-8H2,1-3H3.
What are the key properties of tert-butyl 1-(2-hydroxyethyl)-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate?
tert-butyl 1-(2-hydroxyethyl)-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(2-hydroxyethyl)-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 135376582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).