3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2,5-dimethylfuran-3-carbonyl)pyrazolidine-4-carbohydrazide

C19H22N4O5 — CID 52975528

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2,5-dimethylfuran-3-carbonyl)pyrazolidine-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)C2CNNC2c2ccc3c(c2)OCCO3)c(C)o1
InChIInChI=1S/C19H22N4O5/c1-10-7-13(11(2)28-10)18(24)22-23-19(25)14-9-20-21-17(14)12-3-4-15-16(8-12)27-6-5-26-15/h3-4,7-8,14,17,20-21H,5-6,9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyWIMDFOGLCQXLHD-UHFFFAOYSA-N
MW386.41 g/mol
LogP0.89
Rot. Bonds3

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2,5-dimethylfuran-3-carbonyl)pyrazolidine-4-carbohydrazide

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2,5-dimethylfuran-3-carbonyl)pyrazolidine-4-carbohydrazide (PubChem CID 52975528) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2,5-dimethylfuran-3-carbonyl)pyrazolidine-4-carbohydrazide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2,5-dimethylfuran-3-carbonyl)pyrazolidine-4-carbohydrazide
PubChem CID52975528
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2,5-dimethylfuran-3-carbonyl)pyrazolidine-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)C2CNNC2c2ccc3c(c2)OCCO3)c(C)o1
InChIInChI=1S/C19H22N4O5/c1-10-7-13(11(2)28-10)18(24)22-23-19(25)14-9-20-21-17(14)12-3-4-15-16(8-12)27-6-5-26-15/h3-4,7-8,14,17,20-21H,5-6,9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyWIMDFOGLCQXLHD-UHFFFAOYSA-N
XLogP0.89
TPSA113.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-4-carboxamide
CID 52975623
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-4-carboxamide
CID 52990294
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2,5-dimethylfuran-3-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9405761
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 18114856
2,5-dimethyl-N'-(oxolane-2-carbonyl)furan-3-carbohydrazide
CID 43006542
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6892831
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2584668
N'-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 51229901
2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
[3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidin-4-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 52978396
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(2,5-dimethylfuran-3-carbonyl)piperazine-1-carboxamide
CID 47050838

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2,5-dimethylfuran-3-carbonyl)pyrazolidine-4-carbohydrazide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2,5-dimethylfuran-3-carbonyl)pyrazolidine-4-carbohydrazide (CID 52975528) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2,5-dimethylfuran-3-carbonyl)pyrazolidine-4-carbohydrazide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2,5-dimethylfuran-3-carbonyl)pyrazolidine-4-carbohydrazide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2,5-dimethylfuran-3-carbonyl)pyrazolidine-4-carbohydrazide is Cc1cc(C(=O)NNC(=O)C2CNNC2c2ccc3c(c2)OCCO3)c(C)o1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2,5-dimethylfuran-3-carbonyl)pyrazolidine-4-carbohydrazide?
The InChIKey is WIMDFOGLCQXLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-10-7-13(11(2)28-10)18(24)22-23-19(25)14-9-20-21-17(14)12-3-4-15-16(8-12)27-6-5-26-15/h3-4,7-8,14,17,20-21H,5-6,9H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2,5-dimethylfuran-3-carbonyl)pyrazolidine-4-carbohydrazide?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2,5-dimethylfuran-3-carbonyl)pyrazolidine-4-carbohydrazide has a molecular weight of 386.41 g/mol, XLogP of 0.89, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2,5-dimethylfuran-3-carbonyl)pyrazolidine-4-carbohydrazide is sourced from PubChem (CID 52975528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).