5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]-1H-pyrazole-4-carbohydrazide

C23H24N4O6 — CID 24595255

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]-1H-pyrazole-4-carbohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)c2cn[nH]c2-c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C23H24N4O6/c1-3-30-16-5-7-17(8-6-16)33-14(2)22(28)26-27-23(29)18-13-24-25-21(18)15-4-9-19-20(12-15)32-11-10-31-19/h4-9,12-14H,3,10-11H2,1-2H3,(H,24,25)(H,26,28)(H,27,29)
InChIKeyRKQFVFJVWDBJCI-UHFFFAOYSA-N
MW452.47 g/mol
LogP2.48
Rot. Bonds7

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]-1H-pyrazole-4-carbohydrazide

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]-1H-pyrazole-4-carbohydrazide (PubChem CID 24595255) has the molecular formula C23H24N4O6 and a molecular weight of 452.47 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]-1H-pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]-1H-pyrazole-4-carbohydrazide
PubChem CID24595255
Molecular FormulaC23H24N4O6
Molecular Weight452.47 g/mol
Exact Mass452.17
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]-1H-pyrazole-4-carbohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)c2cn[nH]c2-c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C23H24N4O6/c1-3-30-16-5-7-17(8-6-16)33-14(2)22(28)26-27-23(29)18-13-24-25-21(18)15-4-9-19-20(12-15)32-11-10-31-19/h4-9,12-14H,3,10-11H2,1-2H3,(H,24,25)(H,26,28)(H,27,29)
InChIKeyRKQFVFJVWDBJCI-UHFFFAOYSA-N
XLogP2.48
TPSA123.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]-1H-pyrazole-4-carbohydrazide?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]-1H-pyrazole-4-carbohydrazide (CID 24595255) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]-1H-pyrazole-4-carbohydrazide.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]-1H-pyrazole-4-carbohydrazide?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]-1H-pyrazole-4-carbohydrazide is CCOc1ccc(OC(C)C(=O)NNC(=O)c2cn[nH]c2-c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]-1H-pyrazole-4-carbohydrazide?
The InChIKey is RKQFVFJVWDBJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O6/c1-3-30-16-5-7-17(8-6-16)33-14(2)22(28)26-27-23(29)18-13-24-25-21(18)15-4-9-19-20(12-15)32-11-10-31-19/h4-9,12-14H,3,10-11H2,1-2H3,(H,24,25)(H,26,28)(H,27,29).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]-1H-pyrazole-4-carbohydrazide?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]-1H-pyrazole-4-carbohydrazide has a molecular weight of 452.47 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]-1H-pyrazole-4-carbohydrazide is sourced from PubChem (CID 24595255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).