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

C14H19F2N3O2 — CID 118214430

IUPAC2-(2,2-difluoropropyl)-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
SMILESCc1c2c(nn1CC(C)(F)F)C(=O)CC1(CCNCC1)O2
InChIInChI=1S/C14H19F2N3O2/c1-9-12-11(18-19(9)8-13(2,15)16)10(20)7-14(21-12)3-5-17-6-4-14/h17H,3-8H2,1-2H3
InChIKeyLNVBTPDAICROGR-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.93
Rot. Bonds2

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

2-(2,2-difluoropropyl)-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one (PubChem CID 118214430) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-(2,2-difluoropropyl)-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name2-(2,2-difluoropropyl)-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
PubChem CID118214430
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name2-(2,2-difluoropropyl)-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
SMILESCc1c2c(nn1CC(C)(F)F)C(=O)CC1(CCNCC1)O2
InChIInChI=1S/C14H19F2N3O2/c1-9-12-11(18-19(9)8-13(2,15)16)10(20)7-14(21-12)3-5-17-6-4-14/h17H,3-8H2,1-2H3
InChIKeyLNVBTPDAICROGR-UHFFFAOYSA-N
XLogP1.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropropyl)-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The IUPAC name of 2-(2,2-difluoropropyl)-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one (CID 118214430) is 2-(2,2-difluoropropyl)-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one.
What is the SMILES notation for 2-(2,2-difluoropropyl)-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The canonical SMILES for 2-(2,2-difluoropropyl)-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one is Cc1c2c(nn1CC(C)(F)F)C(=O)CC1(CCNCC1)O2.
What is the InChIKey of 2-(2,2-difluoropropyl)-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The InChIKey is LNVBTPDAICROGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-9-12-11(18-19(9)8-13(2,15)16)10(20)7-14(21-12)3-5-17-6-4-14/h17H,3-8H2,1-2H3.
What are the key properties of 2-(2,2-difluoropropyl)-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
2-(2,2-difluoropropyl)-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one has a molecular weight of 299.32 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropyl)-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one is sourced from PubChem (CID 118214430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).