tert-butyl 3-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate

C15H23N3O3 — CID 121435492

IUPACtert-butyl 3-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2[nH]nc(C3CCOC3)c2C1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)21-14(19)18-6-4-12-11(8-18)13(17-16-12)10-5-7-20-9-10/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyKRAKYVFXTKFIAR-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.21
Rot. Bonds1

About tert-butyl 3-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate

tert-butyl 3-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate (PubChem CID 121435492) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl 3-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
PubChem CID121435492
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl 3-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2[nH]nc(C3CCOC3)c2C1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)21-14(19)18-6-4-12-11(8-18)13(17-16-12)10-5-7-20-9-10/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyKRAKYVFXTKFIAR-UHFFFAOYSA-N
XLogP2.21
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 3-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate (CID 121435492) is tert-butyl 3-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 3-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 3-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate is CC(C)(C)OC(=O)N1CCc2[nH]nc(C3CCOC3)c2C1.
What is the InChIKey of tert-butyl 3-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
The InChIKey is KRAKYVFXTKFIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,3)21-14(19)18-6-4-12-11(8-18)13(17-16-12)10-5-7-20-9-10/h10H,4-9H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl 3-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
tert-butyl 3-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate is sourced from PubChem (CID 121435492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).