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

C13H19N3O2 — CID 66920393

IUPAC2-ethyl-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
SMILESCCn1nc2c(c1C)OC1(CCNCC1)CC2=O
InChIInChI=1S/C13H19N3O2/c1-3-16-9(2)12-11(15-16)10(17)8-13(18-12)4-6-14-7-5-13/h14H,3-8H2,1-2H3
InChIKeySQMPYOPCLYJOKD-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.30
Rot. Bonds1

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

2-ethyl-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one (PubChem CID 66920393) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-ethyl-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name2-ethyl-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
PubChem CID66920393
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-ethyl-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
SMILESCCn1nc2c(c1C)OC1(CCNCC1)CC2=O
InChIInChI=1S/C13H19N3O2/c1-3-16-9(2)12-11(15-16)10(17)8-13(18-12)4-6-14-7-5-13/h14H,3-8H2,1-2H3
InChIKeySQMPYOPCLYJOKD-UHFFFAOYSA-N
XLogP1.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The IUPAC name of 2-ethyl-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one (CID 66920393) is 2-ethyl-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one.
What is the SMILES notation for 2-ethyl-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The canonical SMILES for 2-ethyl-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one is CCn1nc2c(c1C)OC1(CCNCC1)CC2=O.
What is the InChIKey of 2-ethyl-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The InChIKey is SQMPYOPCLYJOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-16-9(2)12-11(15-16)10(17)8-13(18-12)4-6-14-7-5-13/h14H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
2-ethyl-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one has a molecular weight of 249.31 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one is sourced from PubChem (CID 66920393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).