4-cyclopropyl-7,8-difluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline

C20H14F5N3O3S — CID 24865612

IUPAC4-cyclopropyl-7,8-difluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1c2cc(F)c(F)cc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C20H14F5N3O3S/c21-15-7-13-17(8-16(15)22)28(19(10-1-2-10)14-9-26-27-18(13)14)32(29,30)12-5-3-11(4-6-12)31-20(23,24)25/h3-10,19H,1-2H2,(H,26,27)
InChIKeyMKDUFQPZUYDELP-UHFFFAOYSA-N
MW471.41 g/mol
LogP4.91
Rot. Bonds4

About 4-cyclopropyl-7,8-difluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline

4-cyclopropyl-7,8-difluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 24865612) has the molecular formula C20H14F5N3O3S and a molecular weight of 471.41 g/mol. Its IUPAC name is 4-cyclopropyl-7,8-difluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name4-cyclopropyl-7,8-difluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID24865612
Molecular FormulaC20H14F5N3O3S
Molecular Weight471.41 g/mol
Exact Mass471.07
IUPAC Name4-cyclopropyl-7,8-difluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1c2cc(F)c(F)cc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C20H14F5N3O3S/c21-15-7-13-17(8-16(15)22)28(19(10-1-2-10)14-9-26-27-18(13)14)32(29,30)12-5-3-11(4-6-12)31-20(23,24)25/h3-10,19H,1-2H2,(H,26,27)
InChIKeyMKDUFQPZUYDELP-UHFFFAOYSA-N
XLogP4.91
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Cyclopropyl-5-[4-(difluoromethoxy)phenyl]sulfonyl-8-fluoro-1,4-dihydropyrazolo[4,3-c]quinoline
CID 24866342
4-Cyclopropyl-8-fluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 45485456
4-Cyclopropyl-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 45485446
(1S,8R)-13-fluoro-15-[4-(trifluoromethoxy)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene
CID 71552258
2H-Pyrazolo(4,3-c)quinoline, 4,5-dihydro-8-methoxy-5-((4-methylphenyl)sulfonyl)-
CID 13573252
4-Cyclopropyl-7-(trifluoromethoxy)-5-[6-(trifluoromethyl)pyridin-3-yl]sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline
CID 24865788
4-Cyclopropyl-7-(trifluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline
CID 24865992
4-Cyclopropyl-5-[4-(difluoromethoxy)phenyl]sulfonyl-7,8-difluoro-1,4-dihydropyrazolo[4,3-c]quinoline
CID 24866174
(4R)-4-cyclopropyl-8-fluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline
CID 24866345
(4R)-4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24866347
(R)-1-tert-butyl-4-cyclopropyl-7,8-difluoro-5-(2-methoxy-4-(trifluoromethyl)phenylsulfonyl)-4,5-dihydro-1H-pyrazolo[4,3-c]quinoline
CID 51050599
(4R)-1-tert-butyl-4-cyclopropyl-7,8-difluoro-5-(2-methoxy-4-methylphenyl)sulfonyl-4H-pyrazolo[4,5-c]quinoline
CID 58140221

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-7,8-difluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 4-cyclopropyl-7,8-difluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (CID 24865612) is 4-cyclopropyl-7,8-difluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 4-cyclopropyl-7,8-difluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 4-cyclopropyl-7,8-difluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1c2cc(F)c(F)cc2-c2[nH]ncc2C1C1CC1.
What is the InChIKey of 4-cyclopropyl-7,8-difluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is MKDUFQPZUYDELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F5N3O3S/c21-15-7-13-17(8-16(15)22)28(19(10-1-2-10)14-9-26-27-18(13)14)32(29,30)12-5-3-11(4-6-12)31-20(23,24)25/h3-10,19H,1-2H2,(H,26,27).
What are the key properties of 4-cyclopropyl-7,8-difluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
4-cyclopropyl-7,8-difluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 471.41 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-7,8-difluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 24865612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).