tert-butyl 3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate;ethane

C14H25N3O2 — CID 144973709

IUPACtert-butyl 3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate;ethane
SMILESCC.Cc1[nH]nc2c1CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C12H19N3O2.C2H6/c1-8-9-5-6-15(7-10(9)14-13-8)11(16)17-12(2,3)4;1-2/h5-7H2,1-4H3,(H,13,14);1-2H3
InChIKeyLYSPSBDRIYVOHB-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.04
Rot. Bonds

About tert-butyl 3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate;ethane

tert-butyl 3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate;ethane (PubChem CID 144973709) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl 3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate;ethane
PubChem CID144973709
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Nametert-butyl 3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate;ethane
SMILESCC.Cc1[nH]nc2c1CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C12H19N3O2.C2H6/c1-8-9-5-6-15(7-10(9)14-13-8)11(16)17-12(2,3)4;1-2/h5-7H2,1-4H3,(H,13,14);1-2H3
InChIKeyLYSPSBDRIYVOHB-UHFFFAOYSA-N
XLogP3.04
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate;ethane?
The IUPAC name of tert-butyl 3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate;ethane (CID 144973709) is tert-butyl 3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate;ethane.
What is the SMILES notation for tert-butyl 3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate;ethane?
The canonical SMILES for tert-butyl 3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate;ethane is CC.Cc1[nH]nc2c1CCN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate;ethane?
The InChIKey is LYSPSBDRIYVOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2.C2H6/c1-8-9-5-6-15(7-10(9)14-13-8)11(16)17-12(2,3)4;1-2/h5-7H2,1-4H3,(H,13,14);1-2H3.
What are the key properties of tert-butyl 3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate;ethane?
tert-butyl 3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate;ethane has a molecular weight of 267.37 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate;ethane is sourced from PubChem (CID 144973709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).