5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole

C24H22N2O2 — CID 127051033

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCc1ccc(C2CC(c3ccc4c(c3)OCCO4)=NN2c2ccccc2)cc1
InChIInChI=1S/C24H22N2O2/c1-17-7-9-18(10-8-17)22-16-21(25-26(22)20-5-3-2-4-6-20)19-11-12-23-24(15-19)28-14-13-27-23/h2-12,15,22H,13-14,16H2,1H3
InChIKeyKGINFIUZDVTYIW-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.12
Rot. Bonds3

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 127051033) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID127051033
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCc1ccc(C2CC(c3ccc4c(c3)OCCO4)=NN2c2ccccc2)cc1
InChIInChI=1S/C24H22N2O2/c1-17-7-9-18(10-8-17)22-16-21(25-26(22)20-5-3-2-4-6-20)19-11-12-23-24(15-19)28-14-13-27-23/h2-12,15,22H,13-14,16H2,1H3
InChIKeyKGINFIUZDVTYIW-UHFFFAOYSA-N
XLogP5.12
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)-2-phenyl-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole (CID 127051033) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole is Cc1ccc(C2CC(c3ccc4c(c3)OCCO4)=NN2c2ccccc2)cc1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is KGINFIUZDVTYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-17-7-9-18(10-8-17)22-16-21(25-26(22)20-5-3-2-4-6-20)19-11-12-23-24(15-19)28-14-13-27-23/h2-12,15,22H,13-14,16H2,1H3.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 370.45 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 127051033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).