4,6-dimethyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one

C15H14F3N3O3S — CID 16730727

IUPAC4,6-dimethyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
SMILESCC1C(=O)c2[nH]ncc2C(C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H14F3N3O3S/c1-8-12-7-19-20-13(12)14(22)9(2)21(8)25(23,24)11-5-3-10(4-6-11)15(16,17)18/h3-9H,1-2H3,(H,19,20)
InChIKeyMXCHFWLKPVDOPC-UHFFFAOYSA-N
MW373.36 g/mol
LogP2.77
Rot. Bonds2

About 4,6-dimethyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one

4,6-dimethyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one (PubChem CID 16730727) has the molecular formula C15H14F3N3O3S and a molecular weight of 373.36 g/mol. Its IUPAC name is 4,6-dimethyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one.

Molecular Properties

Compound Name4,6-dimethyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
PubChem CID16730727
Molecular FormulaC15H14F3N3O3S
Molecular Weight373.36 g/mol
Exact Mass373.07
IUPAC Name4,6-dimethyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
SMILESCC1C(=O)c2[nH]ncc2C(C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H14F3N3O3S/c1-8-12-7-19-20-13(12)14(22)9(2)21(8)25(23,24)11-5-3-10(4-6-11)15(16,17)18/h3-9H,1-2H3,(H,19,20)
InChIKeyMXCHFWLKPVDOPC-UHFFFAOYSA-N
XLogP2.77
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,6R)-5-(4-chlorophenyl)sulfonyl-4,6-diethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891411
(4R,6S)-5-(4-chlorophenylsulfonyl)-4,6-diethyl-5,6-dihydro-1H-pyrazolo[4,3-c]pyridin-7(4H)-one
CID 46891412
(4R,6R)-4,6-di(propan-2-yl)-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 46883804
7,7-difluoro-4-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890820
4-Cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonylspiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopentane]-7-one
CID 46890945
4-cyclopropyl-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891458
(4R,6S)-4,6-di(propan-2-yl)-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891517
4,6-dicyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891518
(4R,6S)-4,6-diethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891578
12-(4-Chloro-benzenesulfonyl)-4,5,12-triaza-tricyclo[6.3.1.02,6]dodeca-2(6),3-dien-7-one
CID 16045318
4-Cyclopropyl-6,6-dimethyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]pyridin-7-one
CID 46890943
4-Cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonylspiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]-7-one
CID 46890944

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The IUPAC name of 4,6-dimethyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one (CID 16730727) is 4,6-dimethyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one.
What is the SMILES notation for 4,6-dimethyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The canonical SMILES for 4,6-dimethyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one is CC1C(=O)c2[nH]ncc2C(C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4,6-dimethyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The InChIKey is MXCHFWLKPVDOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3S/c1-8-12-7-19-20-13(12)14(22)9(2)21(8)25(23,24)11-5-3-10(4-6-11)15(16,17)18/h3-9H,1-2H3,(H,19,20).
What are the key properties of 4,6-dimethyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
4,6-dimethyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one has a molecular weight of 373.36 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one is sourced from PubChem (CID 16730727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).