7-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline

C19H18FN3O2S — CID 154687823

IUPAC7-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCS(=O)(=O)N1CCCc2ccc(-c3cnn(-c4ccc(F)cc4)c3)cc21
InChIInChI=1S/C19H18FN3O2S/c1-26(24,25)23-10-2-3-14-4-5-15(11-19(14)23)16-12-21-22(13-16)18-8-6-17(20)7-9-18/h4-9,11-13H,2-3,10H2,1H3
InChIKeyZLJHCXVGFMCMRJ-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.39
Rot. Bonds3

About 7-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline

7-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 154687823) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 7-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name7-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline
PubChem CID154687823
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name7-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCS(=O)(=O)N1CCCc2ccc(-c3cnn(-c4ccc(F)cc4)c3)cc21
InChIInChI=1S/C19H18FN3O2S/c1-26(24,25)23-10-2-3-14-4-5-15(11-19(14)23)16-12-21-22(13-16)18-8-6-17(20)7-9-18/h4-9,11-13H,2-3,10H2,1H3
InChIKeyZLJHCXVGFMCMRJ-UHFFFAOYSA-N
XLogP3.39
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Fluorophenyl)-4a-[(4-fluorophenyl)methyl]-6-methylsulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 11547009
6-Butylsulfonyl-1-(4-fluorophenyl)-4a-[(4-fluorophenyl)methyl]-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 11569557
2-[4-[4-(1-Methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,2-thiazolidine 1,1-dioxide
CID 118660623
4-(7-Methyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide
CID 137226331
US11787780, Example 123
CID 163929452
US11787780, Example 126
CID 163929453
US11787780, Example 116
CID 166916196
US11787780, Example 138
CID 166916528
US11787780, Example 130
CID 166917286
US11787780, Example 136
CID 167337320
1-[4-(1H-Pyrazol-1-YL)benzenesulfonyl]-1,2,3,4-tetrahydroquinoline
CID 2815513
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-2,1-benzothiazole 2,2-dioxide
CID 71656258

Frequently Asked Questions

What is the IUPAC name of 7-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 7-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline (CID 154687823) is 7-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 7-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 7-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline is CS(=O)(=O)N1CCCc2ccc(-c3cnn(-c4ccc(F)cc4)c3)cc21.
What is the InChIKey of 7-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is ZLJHCXVGFMCMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-26(24,25)23-10-2-3-14-4-5-15(11-19(14)23)16-12-21-22(13-16)18-8-6-17(20)7-9-18/h4-9,11-13H,2-3,10H2,1H3.
What are the key properties of 7-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline?
7-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 371.44 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 154687823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).