1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one

C13H19F2N3O — CID 74239325

IUPAC1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one
SMILESCc1[nH]nc(CCC(=O)N2CCC(F)(F)CC2)c1C
InChIInChI=1S/C13H19F2N3O/c1-9-10(2)16-17-11(9)3-4-12(19)18-7-5-13(14,15)6-8-18/h3-8H2,1-2H3,(H,16,17)
InChIKeyGZCVKGILMHYUIR-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.22
Rot. Bonds3

About 1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one

1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one (PubChem CID 74239325) has the molecular formula C13H19F2N3O and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one
PubChem CID74239325
Molecular FormulaC13H19F2N3O
Molecular Weight271.31 g/mol
Exact Mass271.15
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one
SMILESCc1[nH]nc(CCC(=O)N2CCC(F)(F)CC2)c1C
InChIInChI=1S/C13H19F2N3O/c1-9-10(2)16-17-11(9)3-4-12(19)18-7-5-13(14,15)6-8-18/h3-8H2,1-2H3,(H,16,17)
InChIKeyGZCVKGILMHYUIR-UHFFFAOYSA-N
XLogP2.22
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one (CID 74239325) is 1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one is Cc1[nH]nc(CCC(=O)N2CCC(F)(F)CC2)c1C.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one?
The InChIKey is GZCVKGILMHYUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O/c1-9-10(2)16-17-11(9)3-4-12(19)18-7-5-13(14,15)6-8-18/h3-8H2,1-2H3,(H,16,17).
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one?
1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one has a molecular weight of 271.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one is sourced from PubChem (CID 74239325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).