5-(benzenesulfonyl)-4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinoline

C19H17N3O2S — CID 45485436

IUPAC5-(benzenesulfonyl)-4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccccc1)N1c2ccccc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C19H17N3O2S/c23-25(24,14-6-2-1-3-7-14)22-17-9-5-4-8-15(17)18-16(12-20-21-18)19(22)13-10-11-13/h1-9,12-13,19H,10-11H2,(H,20,21)
InChIKeyYEPOEURJNMOUOI-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.74
Rot. Bonds3

About 5-(benzenesulfonyl)-4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinoline

5-(benzenesulfonyl)-4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 45485436) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name5-(benzenesulfonyl)-4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID45485436
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name5-(benzenesulfonyl)-4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccccc1)N1c2ccccc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C19H17N3O2S/c23-25(24,14-6-2-1-3-7-14)22-17-9-5-4-8-15(17)18-16(12-20-21-18)19(22)13-10-11-13/h1-9,12-13,19H,10-11H2,(H,20,21)
InChIKeyYEPOEURJNMOUOI-UHFFFAOYSA-N
XLogP3.74
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Elnd-007
CID 46912223
Elnd-006
CID 53308121
1-Ethyl-8-(4-Ethylphenyl)-5-Methyl-1,5-Dihydropyrazolo[4,3-C][2,1]benzothiazine 4,4-Dioxide
CID 71578921
4-[(4-Cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]benzonitrile
CID 24864526
5-(4-Chlorophenylsulfonyl)-4-ethyl-4,5-dihydro-1H-pyrazolo[4,3-c]quinoline
CID 24864705
5-(4-Chlorophenyl)sulfonyl-4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24864711
5-(4-Chlorophenyl)sulfonyl-4-(trifluoromethyl)-1,4-dihydropyrazolo[4,3-c]quinoline
CID 24864885
5-(4-Chlorophenyl)sulfonyl-4-propan-2-yl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24864886
4-Cyclopropyl-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24865253
4-Cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline
CID 45485450
(4R)-5-(4-chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 45485492
(4R)-4-cyclopropyl-8-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 71746584

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 5-(benzenesulfonyl)-4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinoline (CID 45485436) is 5-(benzenesulfonyl)-4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 5-(benzenesulfonyl)-4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 5-(benzenesulfonyl)-4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinoline is O=S(=O)(c1ccccc1)N1c2ccccc2-c2[nH]ncc2C1C1CC1.
What is the InChIKey of 5-(benzenesulfonyl)-4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is YEPOEURJNMOUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c23-25(24,14-6-2-1-3-7-14)22-17-9-5-4-8-15(17)18-16(12-20-21-18)19(22)13-10-11-13/h1-9,12-13,19H,10-11H2,(H,20,21).
What are the key properties of 5-(benzenesulfonyl)-4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinoline?
5-(benzenesulfonyl)-4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 351.43 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 45485436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).