N'-benzoyl-1,3-diphenylpyrazole-5-carbohydrazide

C23H18N4O2 — CID 4883406

IUPACN'-benzoyl-1,3-diphenylpyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18N4O2/c28-22(18-12-6-2-7-13-18)24-25-23(29)21-16-20(17-10-4-1-5-11-17)26-27(21)19-14-8-3-9-15-19/h1-16H,(H,24,28)(H,25,29)
InChIKeyBWSDYKXKOONUOR-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.61
Rot. Bonds4

About N'-benzoyl-1,3-diphenylpyrazole-5-carbohydrazide

N'-benzoyl-1,3-diphenylpyrazole-5-carbohydrazide (PubChem CID 4883406) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is N'-benzoyl-1,3-diphenylpyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-1,3-diphenylpyrazole-5-carbohydrazide
PubChem CID4883406
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC NameN'-benzoyl-1,3-diphenylpyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18N4O2/c28-22(18-12-6-2-7-13-18)24-25-23(29)21-16-20(17-10-4-1-5-11-17)26-27(21)19-14-8-3-9-15-19/h1-16H,(H,24,28)(H,25,29)
InChIKeyBWSDYKXKOONUOR-UHFFFAOYSA-N
XLogP3.61
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.61
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'-benzoyl-1,3-diphenylpyrazole-5-carbohydrazide?
The IUPAC name of N'-benzoyl-1,3-diphenylpyrazole-5-carbohydrazide (CID 4883406) is N'-benzoyl-1,3-diphenylpyrazole-5-carbohydrazide.
What is the SMILES notation for N'-benzoyl-1,3-diphenylpyrazole-5-carbohydrazide?
The canonical SMILES for N'-benzoyl-1,3-diphenylpyrazole-5-carbohydrazide is O=C(NNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzoyl-1,3-diphenylpyrazole-5-carbohydrazide?
The InChIKey is BWSDYKXKOONUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c28-22(18-12-6-2-7-13-18)24-25-23(29)21-16-20(17-10-4-1-5-11-17)26-27(21)19-14-8-3-9-15-19/h1-16H,(H,24,28)(H,25,29).
What are the key properties of N'-benzoyl-1,3-diphenylpyrazole-5-carbohydrazide?
N'-benzoyl-1,3-diphenylpyrazole-5-carbohydrazide has a molecular weight of 382.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-1,3-diphenylpyrazole-5-carbohydrazide is sourced from PubChem (CID 4883406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).