5-(4-chlorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole

C22H19ClN2S — CID 46888056

IUPAC5-(4-chlorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCSc1ccc(C2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C22H19ClN2S/c1-26-20-13-9-17(10-14-20)22-15-21(16-7-11-18(23)12-8-16)24-25(22)19-5-3-2-4-6-19/h2-14,22H,15H2,1H3
InChIKeyZYILOFIEBXLXNI-UHFFFAOYSA-N
MW378.93 g/mol
LogP6.42
Rot. Bonds4

About 5-(4-chlorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole

5-(4-chlorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 46888056) has the molecular formula C22H19ClN2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID46888056
Molecular FormulaC22H19ClN2S
Molecular Weight378.93 g/mol
Exact Mass378.10
IUPAC Name5-(4-chlorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCSc1ccc(C2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C22H19ClN2S/c1-26-20-13-9-17(10-14-20)22-15-21(16-7-11-18(23)12-8-16)24-25(22)19-5-3-2-4-6-19/h2-14,22H,15H2,1H3
InChIKeyZYILOFIEBXLXNI-UHFFFAOYSA-N
XLogP6.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.93
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Bis(4-chlorophenyl)-4,5-dihydro-1-phenyl-1H-pyrazole
CID 561652
3-(4-Chlorophenyl)-4,5-dihydro-1,5-diphenyl-1H-pyrazole
CID 101167
1-(4-(2-Dimethylaminoethylsulfonyl)-phenyl-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
CID 82580
3-(4-Methylsulfonylphenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 12581132
3-(4-Methylsulfanylphenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 12581135
4-[3-(4-Chloro-phenyl)-5-(4-chloro-phenyl)-4,5-dihydro-pyrazol-1-yl]-benzene-sulfonamide (10d)
CID 126842558
4-[3-(4-Chlorophenyl)-5-phenyl-2-pyrazolin-1-yl]benzenesulfonamide
CID 14199395
5-(4-Chlorophenyl)-3-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 46830107
5-(2-Chlorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 46830109
3-(4-Methylsulfanylphenyl)-2-phenyl-5-(p-tolyl)-3,4-dihydropyrazole
CID 46888091
5-(4-Fluorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 46888129
3-[3-(4-Methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]aniline
CID 46888173

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(4-chlorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole (CID 46888056) is 5-(4-chlorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole is CSc1ccc(C2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is ZYILOFIEBXLXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2S/c1-26-20-13-9-17(10-14-20)22-15-21(16-7-11-18(23)12-8-16)24-25(22)19-5-3-2-4-6-19/h2-14,22H,15H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole?
5-(4-chlorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 378.93 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 46888056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).