[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone

C16H24F2N4O2 — CID 110108499

IUPAC[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)n1nccc1C(=O)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1
InChIInChI=1S/C16H24F2N4O2/c1-11(2)22-12(3-6-19-22)15(24)21-9-13(14(23)10-21)20-7-4-16(17,18)5-8-20/h3,6,11,13-14,23H,4-5,7-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyLARDSVMCCGSNRB-ZIAGYGMSSA-N
MW342.39 g/mol
LogP1.38
Rot. Bonds3

About [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone

[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 110108499) has the molecular formula C16H24F2N4O2 and a molecular weight of 342.39 g/mol. Its IUPAC name is [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
PubChem CID110108499
Molecular FormulaC16H24F2N4O2
Molecular Weight342.39 g/mol
Exact Mass342.19
IUPAC Name[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)n1nccc1C(=O)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1
InChIInChI=1S/C16H24F2N4O2/c1-11(2)22-12(3-6-19-22)15(24)21-9-13(14(23)10-21)20-7-4-16(17,18)5-8-20/h3,6,11,13-14,23H,4-5,7-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyLARDSVMCCGSNRB-ZIAGYGMSSA-N
XLogP1.38
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone?
The IUPAC name of [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone (CID 110108499) is [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone is CC(C)n1nccc1C(=O)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1.
What is the InChIKey of [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone?
The InChIKey is LARDSVMCCGSNRB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H24F2N4O2/c1-11(2)22-12(3-6-19-22)15(24)21-9-13(14(23)10-21)20-7-4-16(17,18)5-8-20/h3,6,11,13-14,23H,4-5,7-10H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone?
[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 342.39 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 110108499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).