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

C13H19N3O2 — CID 58123122

IUPAC3-ethyl-2-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
SMILESCCc1c2c(nn1C)C(=O)CC1(CCNCC1)O2
InChIInChI=1S/C13H19N3O2/c1-3-9-12-11(15-16(9)2)10(17)8-13(18-12)4-6-14-7-5-13/h14H,3-8H2,1-2H3
InChIKeySKPNUTIWKZXBKK-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.07
Rot. Bonds1

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

3-ethyl-2-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one (PubChem CID 58123122) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-ethyl-2-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name3-ethyl-2-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
PubChem CID58123122
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-ethyl-2-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
SMILESCCc1c2c(nn1C)C(=O)CC1(CCNCC1)O2
InChIInChI=1S/C13H19N3O2/c1-3-9-12-11(15-16(9)2)10(17)8-13(18-12)4-6-14-7-5-13/h14H,3-8H2,1-2H3
InChIKeySKPNUTIWKZXBKK-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The IUPAC name of 3-ethyl-2-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one (CID 58123122) is 3-ethyl-2-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one.
What is the SMILES notation for 3-ethyl-2-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The canonical SMILES for 3-ethyl-2-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one is CCc1c2c(nn1C)C(=O)CC1(CCNCC1)O2.
What is the InChIKey of 3-ethyl-2-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The InChIKey is SKPNUTIWKZXBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-9-12-11(15-16(9)2)10(17)8-13(18-12)4-6-14-7-5-13/h14H,3-8H2,1-2H3.
What are the key properties of 3-ethyl-2-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
3-ethyl-2-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one has a molecular weight of 249.31 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one is sourced from PubChem (CID 58123122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).