2-tert-butyl-1'-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one

C15H23N3O2 — CID 58103972

IUPAC2-tert-butyl-1'-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
SMILESCN1CCC2(CC1)CC(=O)c1nn(C(C)(C)C)cc1O2
InChIInChI=1S/C15H23N3O2/c1-14(2,3)18-10-12-13(16-18)11(19)9-15(20-12)5-7-17(4)8-6-15/h10H,5-9H2,1-4H3
InChIKeySGXCMXZEVOIWBZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.07
Rot. Bonds

About 2-tert-butyl-1'-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one

2-tert-butyl-1'-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one (PubChem CID 58103972) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-tert-butyl-1'-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name2-tert-butyl-1'-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
PubChem CID58103972
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-tert-butyl-1'-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
SMILESCN1CCC2(CC1)CC(=O)c1nn(C(C)(C)C)cc1O2
InChIInChI=1S/C15H23N3O2/c1-14(2,3)18-10-12-13(16-18)11(19)9-15(20-12)5-7-17(4)8-6-15/h10H,5-9H2,1-4H3
InChIKeySGXCMXZEVOIWBZ-UHFFFAOYSA-N
XLogP2.07
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1'-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The IUPAC name of 2-tert-butyl-1'-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one (CID 58103972) is 2-tert-butyl-1'-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one.
What is the SMILES notation for 2-tert-butyl-1'-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The canonical SMILES for 2-tert-butyl-1'-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one is CN1CCC2(CC1)CC(=O)c1nn(C(C)(C)C)cc1O2.
What is the InChIKey of 2-tert-butyl-1'-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The InChIKey is SGXCMXZEVOIWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-14(2,3)18-10-12-13(16-18)11(19)9-15(20-12)5-7-17(4)8-6-15/h10H,5-9H2,1-4H3.
What are the key properties of 2-tert-butyl-1'-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
2-tert-butyl-1'-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one has a molecular weight of 277.37 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1'-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one is sourced from PubChem (CID 58103972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).