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

C24H22N2O3 — CID 127052875

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1cccc(C2CC(c3ccc4c(c3)OCCO4)=NN2c2ccccc2)c1
InChIInChI=1S/C24H22N2O3/c1-27-20-9-5-6-18(14-20)22-16-21(25-26(22)19-7-3-2-4-8-19)17-10-11-23-24(15-17)29-13-12-28-23/h2-11,14-15,22H,12-13,16H2,1H3
InChIKeyOQUNFHUNFXVBPC-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.82
Rot. Bonds4

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

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 127052875) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID127052875
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1cccc(C2CC(c3ccc4c(c3)OCCO4)=NN2c2ccccc2)c1
InChIInChI=1S/C24H22N2O3/c1-27-20-9-5-6-18(14-20)22-16-21(25-26(22)19-7-3-2-4-8-19)17-10-11-23-24(15-17)29-13-12-28-23/h2-11,14-15,22H,12-13,16H2,1H3
InChIKeyOQUNFHUNFXVBPC-UHFFFAOYSA-N
XLogP4.82
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole (CID 127052875) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole is COc1cccc(C2CC(c3ccc4c(c3)OCCO4)=NN2c2ccccc2)c1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is OQUNFHUNFXVBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-27-20-9-5-6-18(14-20)22-16-21(25-26(22)19-7-3-2-4-8-19)17-10-11-23-24(15-17)29-13-12-28-23/h2-11,14-15,22H,12-13,16H2,1H3.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 386.45 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 127052875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).