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

C12H17N3O2 — CID 58123129

IUPAC2,3-dimethylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
SMILESCc1c2c(nn1C)C(=O)CC1(CCNCC1)O2
InChIInChI=1S/C12H17N3O2/c1-8-11-10(14-15(8)2)9(16)7-12(17-11)3-5-13-6-4-12/h13H,3-7H2,1-2H3
InChIKeyUPKHUAHTHJVIOC-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.82
Rot. Bonds

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

2,3-dimethylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one (PubChem CID 58123129) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2,3-dimethylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name2,3-dimethylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
PubChem CID58123129
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2,3-dimethylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
SMILESCc1c2c(nn1C)C(=O)CC1(CCNCC1)O2
InChIInChI=1S/C12H17N3O2/c1-8-11-10(14-15(8)2)9(16)7-12(17-11)3-5-13-6-4-12/h13H,3-7H2,1-2H3
InChIKeyUPKHUAHTHJVIOC-UHFFFAOYSA-N
XLogP0.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The IUPAC name of 2,3-dimethylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one (CID 58123129) is 2,3-dimethylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one.
What is the SMILES notation for 2,3-dimethylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The canonical SMILES for 2,3-dimethylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one is Cc1c2c(nn1C)C(=O)CC1(CCNCC1)O2.
What is the InChIKey of 2,3-dimethylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The InChIKey is UPKHUAHTHJVIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-11-10(14-15(8)2)9(16)7-12(17-11)3-5-13-6-4-12/h13H,3-7H2,1-2H3.
What are the key properties of 2,3-dimethylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
2,3-dimethylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one has a molecular weight of 235.29 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one is sourced from PubChem (CID 58123129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).