N'-(2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl)benzohydrazide

C23H20N4O2 — CID 3136590

IUPACN'-(2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl)benzohydrazide
SMILESO=C(NNC1CC(c2ccccc2)=NN1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N4O2/c28-22(18-12-6-2-7-13-18)25-24-21-16-20(17-10-4-1-5-11-17)26-27(21)23(29)19-14-8-3-9-15-19/h1-15,21,24H,16H2,(H,25,28)
InChIKeyZQMCAAYWFGWLBJ-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.20
Rot. Bonds5

About N'-(2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl)benzohydrazide

N'-(2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl)benzohydrazide (PubChem CID 3136590) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N'-(2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl)benzohydrazide
PubChem CID3136590
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN'-(2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl)benzohydrazide
SMILESO=C(NNC1CC(c2ccccc2)=NN1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N4O2/c28-22(18-12-6-2-7-13-18)25-24-21-16-20(17-10-4-1-5-11-17)26-27(21)23(29)19-14-8-3-9-15-19/h1-15,21,24H,16H2,(H,25,28)
InChIKeyZQMCAAYWFGWLBJ-UHFFFAOYSA-N
XLogP3.20
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-(2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl)benzohydrazide?
The IUPAC name of N'-(2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl)benzohydrazide (CID 3136590) is N'-(2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl)benzohydrazide.
What is the SMILES notation for N'-(2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl)benzohydrazide?
The canonical SMILES for N'-(2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl)benzohydrazide is O=C(NNC1CC(c2ccccc2)=NN1C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-(2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl)benzohydrazide?
The InChIKey is ZQMCAAYWFGWLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-22(18-12-6-2-7-13-18)25-24-21-16-20(17-10-4-1-5-11-17)26-27(21)23(29)19-14-8-3-9-15-19/h1-15,21,24H,16H2,(H,25,28).
What are the key properties of N'-(2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl)benzohydrazide?
N'-(2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl)benzohydrazide has a molecular weight of 384.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl)benzohydrazide is sourced from PubChem (CID 3136590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).