(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one

C16H16F3N3O2 — CID 126527185

IUPAC(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one
SMILESC[C@@](O)(C(=O)N1CCc2c(cnn2-c2ccccc2)C1)C(F)(F)F
InChIInChI=1S/C16H16F3N3O2/c1-15(24,16(17,18)19)14(23)21-8-7-13-11(10-21)9-20-22(13)12-5-3-2-4-6-12/h2-6,9,24H,7-8,10H2,1H3/t15-/m1/s1
InChIKeyRUPONGSNGZZKHE-OAHLLOKOSA-N
MW339.32 g/mol
LogP2.07
Rot. Bonds2

About (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one

(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one (PubChem CID 126527185) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one
PubChem CID126527185
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one
SMILESC[C@@](O)(C(=O)N1CCc2c(cnn2-c2ccccc2)C1)C(F)(F)F
InChIInChI=1S/C16H16F3N3O2/c1-15(24,16(17,18)19)14(23)21-8-7-13-11(10-21)9-20-22(13)12-5-3-2-4-6-12/h2-6,9,24H,7-8,10H2,1H3/t15-/m1/s1
InChIKeyRUPONGSNGZZKHE-OAHLLOKOSA-N
XLogP2.07
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one?
The IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one (CID 126527185) is (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one is C[C@@](O)(C(=O)N1CCc2c(cnn2-c2ccccc2)C1)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one?
The InChIKey is RUPONGSNGZZKHE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-15(24,16(17,18)19)14(23)21-8-7-13-11(10-21)9-20-22(13)12-5-3-2-4-6-12/h2-6,9,24H,7-8,10H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one?
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one has a molecular weight of 339.32 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 126527185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).