(4,4-difluoropiperidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone

C11H15F2N3O2 — CID 121184572

IUPAC(4,4-difluoropiperidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone
SMILESCOc1nn(C)cc1C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C11H15F2N3O2/c1-15-7-8(9(14-15)18-2)10(17)16-5-3-11(12,13)4-6-16/h7H,3-6H2,1-2H3
InChIKeyNKZJCMMLSBBZQD-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.30
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone

(4,4-difluoropiperidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone (PubChem CID 121184572) has the molecular formula C11H15F2N3O2 and a molecular weight of 259.26 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone
PubChem CID121184572
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name(4,4-difluoropiperidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone
SMILESCOc1nn(C)cc1C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C11H15F2N3O2/c1-15-7-8(9(14-15)18-2)10(17)16-5-3-11(12,13)4-6-16/h7H,3-6H2,1-2H3
InChIKeyNKZJCMMLSBBZQD-UHFFFAOYSA-N
XLogP1.30
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone (CID 121184572) is (4,4-difluoropiperidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone is COc1nn(C)cc1C(=O)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The InChIKey is NKZJCMMLSBBZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c1-15-7-8(9(14-15)18-2)10(17)16-5-3-11(12,13)4-6-16/h7H,3-6H2,1-2H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone?
(4,4-difluoropiperidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone has a molecular weight of 259.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 121184572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).