(4,4-difluoropiperidin-1-yl)-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone

C13H19F2N3O — CID 176856787

IUPAC(4,4-difluoropiperidin-1-yl)-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone
SMILESCC(C)c1nn(C)cc1C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C13H19F2N3O/c1-9(2)11-10(8-17(3)16-11)12(19)18-6-4-13(14,15)5-7-18/h8-9H,4-7H2,1-3H3
InChIKeyBGFQTAVIWPJJPK-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.41
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone

(4,4-difluoropiperidin-1-yl)-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone (PubChem CID 176856787) has the molecular formula C13H19F2N3O and a molecular weight of 271.31 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone
PubChem CID176856787
Molecular FormulaC13H19F2N3O
Molecular Weight271.31 g/mol
Exact Mass271.15
IUPAC Name(4,4-difluoropiperidin-1-yl)-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone
SMILESCC(C)c1nn(C)cc1C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C13H19F2N3O/c1-9(2)11-10(8-17(3)16-11)12(19)18-6-4-13(14,15)5-7-18/h8-9H,4-7H2,1-3H3
InChIKeyBGFQTAVIWPJJPK-UHFFFAOYSA-N
XLogP2.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone (CID 176856787) is (4,4-difluoropiperidin-1-yl)-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone is CC(C)c1nn(C)cc1C(=O)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone?
The InChIKey is BGFQTAVIWPJJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O/c1-9(2)11-10(8-17(3)16-11)12(19)18-6-4-13(14,15)5-7-18/h8-9H,4-7H2,1-3H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone?
(4,4-difluoropiperidin-1-yl)-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone has a molecular weight of 271.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 176856787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).