5-(furan-2-yl)-3-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole

C21H20N2O3S — CID 171354537

IUPAC5-(furan-2-yl)-3-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole
SMILESCc1ccc(C2CC(c3ccco3)=NN2c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C21H20N2O3S/c1-15-5-7-16(8-6-15)20-14-19(21-4-3-13-26-21)22-23(20)17-9-11-18(12-10-17)27(2,24)25/h3-13,20H,14H2,1-2H3
InChIKeyNQLMXDJDOXNDRJ-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.35
Rot. Bonds4

About 5-(furan-2-yl)-3-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole

5-(furan-2-yl)-3-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole (PubChem CID 171354537) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole
PubChem CID171354537
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name5-(furan-2-yl)-3-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole
SMILESCc1ccc(C2CC(c3ccco3)=NN2c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C21H20N2O3S/c1-15-5-7-16(8-6-15)20-14-19(21-4-3-13-26-21)22-23(20)17-9-11-18(12-10-17)27(2,24)25/h3-13,20H,14H2,1-2H3
InChIKeyNQLMXDJDOXNDRJ-UHFFFAOYSA-N
XLogP4.35
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(furan-2-yl)-3-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole?
The IUPAC name of 5-(furan-2-yl)-3-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole (CID 171354537) is 5-(furan-2-yl)-3-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 5-(furan-2-yl)-3-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole?
The canonical SMILES for 5-(furan-2-yl)-3-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole is Cc1ccc(C2CC(c3ccco3)=NN2c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 5-(furan-2-yl)-3-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole?
The InChIKey is NQLMXDJDOXNDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-15-5-7-16(8-6-15)20-14-19(21-4-3-13-26-21)22-23(20)17-9-11-18(12-10-17)27(2,24)25/h3-13,20H,14H2,1-2H3.
What are the key properties of 5-(furan-2-yl)-3-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole?
5-(furan-2-yl)-3-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole has a molecular weight of 380.47 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 171354537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).