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

C16H15F4N3O2 — CID 126527179

IUPAC(2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one
SMILESC[C@@](O)(C(=O)N1CCc2c(cnn2-c2ccc(F)cc2)C1)C(F)(F)F
InChIInChI=1S/C16H15F4N3O2/c1-15(25,16(18,19)20)14(24)22-7-6-13-10(9-22)8-21-23(13)12-4-2-11(17)3-5-12/h2-5,8,25H,6-7,9H2,1H3/t15-/m1/s1
InChIKeyNKXHIDRGRKPWLM-OAHLLOKOSA-N
MW357.31 g/mol
LogP2.21
Rot. Bonds2

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

(2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one (PubChem CID 126527179) has the molecular formula C16H15F4N3O2 and a molecular weight of 357.31 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one
PubChem CID126527179
Molecular FormulaC16H15F4N3O2
Molecular Weight357.31 g/mol
Exact Mass357.11
IUPAC Name(2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one
SMILESC[C@@](O)(C(=O)N1CCc2c(cnn2-c2ccc(F)cc2)C1)C(F)(F)F
InChIInChI=1S/C16H15F4N3O2/c1-15(25,16(18,19)20)14(24)22-7-6-13-10(9-22)8-21-23(13)12-4-2-11(17)3-5-12/h2-5,8,25H,6-7,9H2,1H3/t15-/m1/s1
InChIKeyNKXHIDRGRKPWLM-OAHLLOKOSA-N
XLogP2.21
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of (2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one (CID 126527179) is (2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for (2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for (2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one is C[C@@](O)(C(=O)N1CCc2c(cnn2-c2ccc(F)cc2)C1)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one?
The InChIKey is NKXHIDRGRKPWLM-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15F4N3O2/c1-15(25,16(18,19)20)14(24)22-7-6-13-10(9-22)8-21-23(13)12-4-2-11(17)3-5-12/h2-5,8,25H,6-7,9H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one?
(2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one has a molecular weight of 357.31 g/mol, XLogP of 2.21, 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-1-[1-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 126527179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).