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

C23H20N2O2 — CID 127051693

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diphenyl-3,4-dihydropyrazole
SMILESc1ccc(C2CC(c3ccc4c(c3)OCCO4)=NN2c2ccccc2)cc1
InChIInChI=1S/C23H20N2O2/c1-3-7-17(8-4-1)21-16-20(24-25(21)19-9-5-2-6-10-19)18-11-12-22-23(15-18)27-14-13-26-22/h1-12,15,21H,13-14,16H2
InChIKeyHIEVTTBIZUWSKF-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.81
Rot. Bonds3

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

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diphenyl-3,4-dihydropyrazole (PubChem CID 127051693) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diphenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diphenyl-3,4-dihydropyrazole
PubChem CID127051693
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diphenyl-3,4-dihydropyrazole
SMILESc1ccc(C2CC(c3ccc4c(c3)OCCO4)=NN2c2ccccc2)cc1
InChIInChI=1S/C23H20N2O2/c1-3-7-17(8-4-1)21-16-20(24-25(21)19-9-5-2-6-10-19)18-11-12-22-23(15-18)27-14-13-26-22/h1-12,15,21H,13-14,16H2
InChIKeyHIEVTTBIZUWSKF-UHFFFAOYSA-N
XLogP4.81
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 166624752
(3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole
CID 7452769
[4-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenyl] acetate
CID 7065243
3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 3089890
(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole
CID 7071800
4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimethylaniline
CID 2729182
4-[5-(1,3-benzodioxol-5-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 47093538
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
2,3-diphenyl-5-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole
CID 50886955
4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 3756212
(5R,10bR)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-ethylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 25368214
2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol
CID 135772224

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diphenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diphenyl-3,4-dihydropyrazole (CID 127051693) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diphenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diphenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diphenyl-3,4-dihydropyrazole is c1ccc(C2CC(c3ccc4c(c3)OCCO4)=NN2c2ccccc2)cc1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diphenyl-3,4-dihydropyrazole?
The InChIKey is HIEVTTBIZUWSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-3-7-17(8-4-1)21-16-20(24-25(21)19-9-5-2-6-10-19)18-11-12-22-23(15-18)27-14-13-26-22/h1-12,15,21H,13-14,16H2.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diphenyl-3,4-dihydropyrazole?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diphenyl-3,4-dihydropyrazole has a molecular weight of 356.43 g/mol, XLogP of 4.81, 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)-2,3-diphenyl-3,4-dihydropyrazole is sourced from PubChem (CID 127051693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).