N'-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide

C18H14N4O5 — CID 17419223

IUPACN'-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
SMILESO=C(NNC(=O)c1nn(-c2ccccc2)cc1O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H14N4O5/c23-13-9-22(12-4-2-1-3-5-12)21-16(13)18(25)20-19-17(24)11-6-7-14-15(8-11)27-10-26-14/h1-9,23H,10H2,(H,19,24)(H,20,25)
InChIKeyKHLJAXJHAJNBSE-UHFFFAOYSA-N
MW366.33 g/mol
LogP1.38
Rot. Bonds3

About N'-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide

N'-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide (PubChem CID 17419223) has the molecular formula C18H14N4O5 and a molecular weight of 366.33 g/mol. Its IUPAC name is N'-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
PubChem CID17419223
Molecular FormulaC18H14N4O5
Molecular Weight366.33 g/mol
Exact Mass366.10
IUPAC NameN'-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
SMILESO=C(NNC(=O)c1nn(-c2ccccc2)cc1O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H14N4O5/c23-13-9-22(12-4-2-1-3-5-12)21-16(13)18(25)20-19-17(24)11-6-7-14-15(8-11)27-10-26-14/h1-9,23H,10H2,(H,19,24)(H,20,25)
InChIKeyKHLJAXJHAJNBSE-UHFFFAOYSA-N
XLogP1.38
TPSA114.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 51.38
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 N'-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The IUPAC name of N'-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide (CID 17419223) is N'-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide.
What is the SMILES notation for N'-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The canonical SMILES for N'-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide is O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The InChIKey is KHLJAXJHAJNBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O5/c23-13-9-22(12-4-2-1-3-5-12)21-16(13)18(25)20-19-17(24)11-6-7-14-15(8-11)27-10-26-14/h1-9,23H,10H2,(H,19,24)(H,20,25).
What are the key properties of N'-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
N'-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide has a molecular weight of 366.33 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide is sourced from PubChem (CID 17419223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).