6-oxo-N'-(3-phenyl-1H-pyrazole-5-carbonyl)-4,5-dihydro-1H-pyridazine-3-carbohydrazide

C15H14N6O3 — CID 4845852

IUPAC6-oxo-N'-(3-phenyl-1H-pyrazole-5-carbonyl)-4,5-dihydro-1H-pyridazine-3-carbohydrazide
SMILESO=C1CCC(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)=NN1
InChIInChI=1S/C15H14N6O3/c22-13-7-6-10(16-19-13)14(23)20-21-15(24)12-8-11(17-18-12)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,17,18)(H,19,22)(H,20,23)(H,21,24)
InChIKeyJQGVPONJJMAVKV-UHFFFAOYSA-N
MW326.32 g/mol
LogP0.10
Rot. Bonds3

About 6-oxo-N'-(3-phenyl-1H-pyrazole-5-carbonyl)-4,5-dihydro-1H-pyridazine-3-carbohydrazide

6-oxo-N'-(3-phenyl-1H-pyrazole-5-carbonyl)-4,5-dihydro-1H-pyridazine-3-carbohydrazide (PubChem CID 4845852) has the molecular formula C15H14N6O3 and a molecular weight of 326.32 g/mol. Its IUPAC name is 6-oxo-N'-(3-phenyl-1H-pyrazole-5-carbonyl)-4,5-dihydro-1H-pyridazine-3-carbohydrazide.

Molecular Properties

Compound Name6-oxo-N'-(3-phenyl-1H-pyrazole-5-carbonyl)-4,5-dihydro-1H-pyridazine-3-carbohydrazide
PubChem CID4845852
Molecular FormulaC15H14N6O3
Molecular Weight326.32 g/mol
Exact Mass326.11
IUPAC Name6-oxo-N'-(3-phenyl-1H-pyrazole-5-carbonyl)-4,5-dihydro-1H-pyridazine-3-carbohydrazide
SMILESO=C1CCC(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)=NN1
InChIInChI=1S/C15H14N6O3/c22-13-7-6-10(16-19-13)14(23)20-21-15(24)12-8-11(17-18-12)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,17,18)(H,19,22)(H,20,23)(H,21,24)
InChIKeyJQGVPONJJMAVKV-UHFFFAOYSA-N
XLogP0.10
TPSA128.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 6-oxo-N'-(3-phenyl-1H-pyrazole-5-carbonyl)-4,5-dihydro-1H-pyridazine-3-carbohydrazide?
The IUPAC name of 6-oxo-N'-(3-phenyl-1H-pyrazole-5-carbonyl)-4,5-dihydro-1H-pyridazine-3-carbohydrazide (CID 4845852) is 6-oxo-N'-(3-phenyl-1H-pyrazole-5-carbonyl)-4,5-dihydro-1H-pyridazine-3-carbohydrazide.
What is the SMILES notation for 6-oxo-N'-(3-phenyl-1H-pyrazole-5-carbonyl)-4,5-dihydro-1H-pyridazine-3-carbohydrazide?
The canonical SMILES for 6-oxo-N'-(3-phenyl-1H-pyrazole-5-carbonyl)-4,5-dihydro-1H-pyridazine-3-carbohydrazide is O=C1CCC(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)=NN1.
What is the InChIKey of 6-oxo-N'-(3-phenyl-1H-pyrazole-5-carbonyl)-4,5-dihydro-1H-pyridazine-3-carbohydrazide?
The InChIKey is JQGVPONJJMAVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3/c22-13-7-6-10(16-19-13)14(23)20-21-15(24)12-8-11(17-18-12)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,17,18)(H,19,22)(H,20,23)(H,21,24).
What are the key properties of 6-oxo-N'-(3-phenyl-1H-pyrazole-5-carbonyl)-4,5-dihydro-1H-pyridazine-3-carbohydrazide?
6-oxo-N'-(3-phenyl-1H-pyrazole-5-carbonyl)-4,5-dihydro-1H-pyridazine-3-carbohydrazide has a molecular weight of 326.32 g/mol, XLogP of 0.10, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N'-(3-phenyl-1H-pyrazole-5-carbonyl)-4,5-dihydro-1H-pyridazine-3-carbohydrazide is sourced from PubChem (CID 4845852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).