2-[[(Z)-1-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)ethylideneamino]carbamoyl]phenolate

C24H19N4O3- — CID 136882805

IUPAC2-[[(Z)-1-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)ethylideneamino]carbamoyl]phenolate
SMILESC/C(=N/NC(=O)c1ccccc1[O-])c1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C24H20N4O3/c1-16(25-26-23(30)19-14-8-9-15-20(19)29)21-22(17-10-4-2-5-11-17)27-28(24(21)31)18-12-6-3-7-13-18/h2-15,27,29H,1H3,(H,26,30)/p-1/b25-16-
InChIKeyBPWPEQFUHHRORP-XYGWBWBKSA-M
MW411.44 g/mol
LogP3.06
Rot. Bonds5

About 2-[[(Z)-1-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)ethylideneamino]carbamoyl]phenolate

2-[[(Z)-1-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)ethylideneamino]carbamoyl]phenolate (PubChem CID 136882805) has the molecular formula C24H19N4O3- and a molecular weight of 411.44 g/mol. Its IUPAC name is 2-[[(Z)-1-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)ethylideneamino]carbamoyl]phenolate.

Molecular Properties

Compound Name2-[[(Z)-1-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)ethylideneamino]carbamoyl]phenolate
PubChem CID136882805
Molecular FormulaC24H19N4O3-
Molecular Weight411.44 g/mol
Exact Mass411.15
IUPAC Name2-[[(Z)-1-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)ethylideneamino]carbamoyl]phenolate
SMILESC/C(=N/NC(=O)c1ccccc1[O-])c1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C24H20N4O3/c1-16(25-26-23(30)19-14-8-9-15-20(19)29)21-22(17-10-4-2-5-11-17)27-28(24(21)31)18-12-6-3-7-13-18/h2-15,27,29H,1H3,(H,26,30)/p-1/b25-16-
InChIKeyBPWPEQFUHHRORP-XYGWBWBKSA-M
XLogP3.06
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[(Z)-1-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)ethylideneamino]carbamoyl]phenolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[(E)-1-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)ethylideneamino]benzamide
CID 135687862
3-methyl-N-[(E)-1-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)ethylideneamino]butanamide
CID 135644575
N-[1-[2-(4-fluorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]ethylideneamino]thiophene-2-carboxamide
CID 137157378
4-(C-methyl-N-phenylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one
CID 135794298
2-hydroxy-N-[1-[2-(4-iodophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide
CID 136601539
4-(N-cyclopropyl-C-methylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one
CID 135728399
3-oxo-2,5-diphenyl-1H-pyrazole-4-carboxylate
CID 2384840
1-[(Z)-[(2-chlorophenyl)-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)methylidene]amino]-3-methylthiourea
CID 136825701
2-bromo-N-[1-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)ethylideneamino]benzamide
CID 137025129
N-[1-[2-(4-methoxyphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]ethylideneamino]-3-methylbutanamide
CID 137157750
4-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2,5-diphenyl-1H-pyrazol-3-one
CID 135728590
4-(N-cyclopentyl-C-methylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one
CID 135728402

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-1-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)ethylideneamino]carbamoyl]phenolate?
The IUPAC name of 2-[[(Z)-1-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)ethylideneamino]carbamoyl]phenolate (CID 136882805) is 2-[[(Z)-1-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)ethylideneamino]carbamoyl]phenolate.
What is the SMILES notation for 2-[[(Z)-1-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)ethylideneamino]carbamoyl]phenolate?
The canonical SMILES for 2-[[(Z)-1-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)ethylideneamino]carbamoyl]phenolate is C/C(=N/NC(=O)c1ccccc1[O-])c1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of 2-[[(Z)-1-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)ethylideneamino]carbamoyl]phenolate?
The InChIKey is BPWPEQFUHHRORP-XYGWBWBKSA-M. The full InChI is InChI=1S/C24H20N4O3/c1-16(25-26-23(30)19-14-8-9-15-20(19)29)21-22(17-10-4-2-5-11-17)27-28(24(21)31)18-12-6-3-7-13-18/h2-15,27,29H,1H3,(H,26,30)/p-1/b25-16-.
What are the key properties of 2-[[(Z)-1-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)ethylideneamino]carbamoyl]phenolate?
2-[[(Z)-1-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)ethylideneamino]carbamoyl]phenolate has a molecular weight of 411.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-1-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)ethylideneamino]carbamoyl]phenolate is sourced from PubChem (CID 136882805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).