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

C21H15F3N4O2S — CID 45101471

IUPAC4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline-8-carbonitrile
SMILESN#Cc1ccc2c(c1)-c1[nH]ncc1C(C1CC1)N2S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H15F3N4O2S/c22-21(23,24)14-4-6-15(7-5-14)31(29,30)28-18-8-1-12(10-25)9-16(18)19-17(11-26-27-19)20(28)13-2-3-13/h1,4-9,11,13,20H,2-3H2,(H,26,27)
InChIKeyJLPABTNTUBGPJL-UHFFFAOYSA-N
MW444.44 g/mol
LogP4.63
Rot. Bonds3

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

4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline-8-carbonitrile (PubChem CID 45101471) has the molecular formula C21H15F3N4O2S and a molecular weight of 444.44 g/mol. Its IUPAC name is 4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline-8-carbonitrile
PubChem CID45101471
Molecular FormulaC21H15F3N4O2S
Molecular Weight444.44 g/mol
Exact Mass444.09
IUPAC Name4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline-8-carbonitrile
SMILESN#Cc1ccc2c(c1)-c1[nH]ncc1C(C1CC1)N2S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H15F3N4O2S/c22-21(23,24)14-4-6-15(7-5-14)31(29,30)28-18-8-1-12(10-25)9-16(18)19-17(11-26-27-19)20(28)13-2-3-13/h1,4-9,11,13,20H,2-3H2,(H,26,27)
InChIKeyJLPABTNTUBGPJL-UHFFFAOYSA-N
XLogP4.63
TPSA89.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-8-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24865432
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-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24865253
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
7,8-difluoro-4-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 67505166
(4R)-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
CID 25095935
5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24865609
(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
9-butyl-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
CID 66701452
4-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]-7-one
CID 46891002

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline-8-carbonitrile?
The IUPAC name of 4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline-8-carbonitrile (CID 45101471) is 4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline-8-carbonitrile.
What is the SMILES notation for 4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline-8-carbonitrile?
The canonical SMILES for 4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline-8-carbonitrile is N#Cc1ccc2c(c1)-c1[nH]ncc1C(C1CC1)N2S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline-8-carbonitrile?
The InChIKey is JLPABTNTUBGPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2S/c22-21(23,24)14-4-6-15(7-5-14)31(29,30)28-18-8-1-12(10-25)9-16(18)19-17(11-26-27-19)20(28)13-2-3-13/h1,4-9,11,13,20H,2-3H2,(H,26,27).
What are the key properties of 4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline-8-carbonitrile?
4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline-8-carbonitrile has a molecular weight of 444.44 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline-8-carbonitrile is sourced from PubChem (CID 45101471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).