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

C17H18F3N3O2 — CID 137379017

IUPAC(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(7-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one
SMILESCC1CN(C(=O)[C@@](C)(O)C(F)(F)F)Cc2cnn(-c3ccccc3)c21
InChIInChI=1S/C17H18F3N3O2/c1-11-9-22(15(24)16(2,25)17(18,19)20)10-12-8-21-23(14(11)12)13-6-4-3-5-7-13/h3-8,11,25H,9-10H2,1-2H3/t11?,16-/m1/s1
InChIKeyZCVVIKXBWZZUKJ-WVQRXBFSSA-N
MW353.34 g/mol
LogP2.63
Rot. Bonds2

About (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(7-methyl-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-(7-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one (PubChem CID 137379017) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(7-methyl-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-(7-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one
PubChem CID137379017
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(7-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one
SMILESCC1CN(C(=O)[C@@](C)(O)C(F)(F)F)Cc2cnn(-c3ccccc3)c21
InChIInChI=1S/C17H18F3N3O2/c1-11-9-22(15(24)16(2,25)17(18,19)20)10-12-8-21-23(14(11)12)13-6-4-3-5-7-13/h3-8,11,25H,9-10H2,1-2H3/t11?,16-/m1/s1
InChIKeyZCVVIKXBWZZUKJ-WVQRXBFSSA-N
XLogP2.63
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 126527124
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CID 126527145
CID 126527145
CID 126527151
CID 126527151
CID 126527152
CID 126527152
CID 126527159
CID 126527159
CID 126527179
CID 126527179
CID 126527185
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CID 126527229
CID 126527229
CID 126527244
CID 126527244
CID 126527246
CID 126527246

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(7-methyl-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-(7-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one (CID 137379017) is (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(7-methyl-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-(7-methyl-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-(7-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one is CC1CN(C(=O)[C@@](C)(O)C(F)(F)F)Cc2cnn(-c3ccccc3)c21.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(7-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one?
The InChIKey is ZCVVIKXBWZZUKJ-WVQRXBFSSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-11-9-22(15(24)16(2,25)17(18,19)20)10-12-8-21-23(14(11)12)13-6-4-3-5-7-13/h3-8,11,25H,9-10H2,1-2H3/t11?,16-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(7-methyl-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-(7-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one has a molecular weight of 353.34 g/mol, XLogP of 2.63, 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-(7-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 137379017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).