5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole

C19H20N2O4 — CID 56643534

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole
SMILESCOc1ccc(C2=NNC(c3ccc4c(c3)OCCO4)C2)cc1OC
InChIInChI=1S/C19H20N2O4/c1-22-16-5-3-12(9-18(16)23-2)14-11-15(21-20-14)13-4-6-17-19(10-13)25-8-7-24-17/h3-6,9-10,15,21H,7-8,11H2,1-2H3
InChIKeyUAUFQXHFXDJGTG-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.91
Rot. Bonds4

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole (PubChem CID 56643534) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole
PubChem CID56643534
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole
SMILESCOc1ccc(C2=NNC(c3ccc4c(c3)OCCO4)C2)cc1OC
InChIInChI=1S/C19H20N2O4/c1-22-16-5-3-12(9-18(16)23-2)14-11-15(21-20-14)13-4-6-17-19(10-13)25-8-7-24-17/h3-6,9-10,15,21H,7-8,11H2,1-2H3
InChIKeyUAUFQXHFXDJGTG-UHFFFAOYSA-N
XLogP2.91
TPSA61.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole with MolForge

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Related Compounds

3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazole
CID 4562967
2-Methoxy-5-(3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1h-pyrazol-5-yl) phenol
CID 23661691
2-methoxy-4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 137174990
5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol
CID 11164203
5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole
CID 49865894
5-(4-Methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
CID 12671425
3-(4-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazole
CID 56643533
Cambridge id 6612972
CID 3417197
4-chloro-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 4048231
1-benzyl-3-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]thiourea
CID 9629765
3,5-bis(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol
CID 11281529
5-(3-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol
CID 44397831

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole (CID 56643534) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole is COc1ccc(C2=NNC(c3ccc4c(c3)OCCO4)C2)cc1OC.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is UAUFQXHFXDJGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-22-16-5-3-12(9-18(16)23-2)14-11-15(21-20-14)13-4-6-17-19(10-13)25-8-7-24-17/h3-6,9-10,15,21H,7-8,11H2,1-2H3.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 340.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 56643534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).