4-cyclopropyl-8-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline

C20H15F4N3O2S — CID 24865432

IUPAC4-cyclopropyl-8-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2ccc(F)cc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C20H15F4N3O2S/c21-13-5-8-17-15(9-13)18-16(10-25-26-18)19(11-1-2-11)27(17)30(28,29)14-6-3-12(4-7-14)20(22,23)24/h3-11,19H,1-2H2,(H,25,26)
InChIKeyIYOICEQASLKVSF-UHFFFAOYSA-N
MW437.42 g/mol
LogP4.89
Rot. Bonds3

About 4-cyclopropyl-8-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline

4-cyclopropyl-8-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 24865432) has the molecular formula C20H15F4N3O2S and a molecular weight of 437.42 g/mol. Its IUPAC name is 4-cyclopropyl-8-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name4-cyclopropyl-8-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID24865432
Molecular FormulaC20H15F4N3O2S
Molecular Weight437.42 g/mol
Exact Mass437.08
IUPAC Name4-cyclopropyl-8-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2ccc(F)cc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C20H15F4N3O2S/c21-13-5-8-17-15(9-13)18-16(10-25-26-18)19(11-1-2-11)27(17)30(28,29)14-6-3-12(4-7-14)20(22,23)24/h3-11,19H,1-2H2,(H,25,26)
InChIKeyIYOICEQASLKVSF-UHFFFAOYSA-N
XLogP4.89
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-8-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24866176
(4R)-4-cyclopropyl-8-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
CID 45101437
4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline-8-carbonitrile
CID 45101471
4-cyclopropyl-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24865253
7,8-difluoro-4-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 67505166
5-(benzenesulfonyl)-4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 45485436
(4R)-4-cyclopropyl-7-(trifluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 87425026
(4R)-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
CID 25095935
(4R)-8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 141299926
5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24865609
9-butyl-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
CID 66701452
(4R)-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole;(5S)-5-cyclopropyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one;hydrazine;hydrate
CID 160840820

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-8-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 4-cyclopropyl-8-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (CID 24865432) is 4-cyclopropyl-8-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 4-cyclopropyl-8-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 4-cyclopropyl-8-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2ccc(F)cc2-c2[nH]ncc2C1C1CC1.
What is the InChIKey of 4-cyclopropyl-8-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is IYOICEQASLKVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O2S/c21-13-5-8-17-15(9-13)18-16(10-25-26-18)19(11-1-2-11)27(17)30(28,29)14-6-3-12(4-7-14)20(22,23)24/h3-11,19H,1-2H2,(H,25,26).
What are the key properties of 4-cyclopropyl-8-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
4-cyclopropyl-8-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 437.42 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-8-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 24865432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).