N'-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide

C27H23N5O3 — CID 55615757

IUPACN'-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide
SMILESO=C(NNC(=O)C1CC(=O)N(c2ccccc2)C1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C27H23N5O3/c33-24-16-20(17-31(24)21-12-6-2-7-13-21)26(34)28-29-27(35)23-18-32(22-14-8-3-9-15-22)30-25(23)19-10-4-1-5-11-19/h1-15,18,20H,16-17H2,(H,28,34)(H,29,35)
InChIKeyAGONZRSSRNMXGT-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.35
Rot. Bonds5

About N'-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide

N'-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide (PubChem CID 55615757) has the molecular formula C27H23N5O3 and a molecular weight of 465.51 g/mol. Its IUPAC name is N'-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide
PubChem CID55615757
Molecular FormulaC27H23N5O3
Molecular Weight465.51 g/mol
Exact Mass465.18
IUPAC NameN'-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide
SMILESO=C(NNC(=O)C1CC(=O)N(c2ccccc2)C1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C27H23N5O3/c33-24-16-20(17-31(24)21-12-6-2-7-13-21)26(34)28-29-27(35)23-18-32(22-14-8-3-9-15-22)30-25(23)19-10-4-1-5-11-19/h1-15,18,20H,16-17H2,(H,28,34)(H,29,35)
InChIKeyAGONZRSSRNMXGT-UHFFFAOYSA-N
XLogP3.35
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,4-dihydro-2H-chromene-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide
CID 24512674
tert-butyl 4-[[(1,3-diphenylpyrazole-4-carbonyl)amino]carbamoyl]piperidine-1-carboxylate
CID 46651526
N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 46581353
N'-(2-chlorobenzoyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51179819
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
4-[(1,3-diphenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229120
N'-(2-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51145340
N'-[1-(2-fluorophenyl)ethenyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2425845
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 46540299
N'-(2,4-dimethoxybenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide
CID 24512976
N-(4-methylpiperazin-1-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 9204822
(3R)-5-oxo-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 51937891

Frequently Asked Questions

What is the IUPAC name of N'-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide?
The IUPAC name of N'-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide (CID 55615757) is N'-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide is O=C(NNC(=O)C1CC(=O)N(c2ccccc2)C1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N'-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide?
The InChIKey is AGONZRSSRNMXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O3/c33-24-16-20(17-31(24)21-12-6-2-7-13-21)26(34)28-29-27(35)23-18-32(22-14-8-3-9-15-22)30-25(23)19-10-4-1-5-11-19/h1-15,18,20H,16-17H2,(H,28,34)(H,29,35).
What are the key properties of N'-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide?
N'-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide has a molecular weight of 465.51 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 55615757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).