2-hydroxy-N-[(Z)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propylideneamino]benzamide

C20H20N4O3 — CID 135514370

IUPAC2-hydroxy-N-[(Z)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propylideneamino]benzamide
SMILESCC/C(=N/NC(=O)c1ccccc1O)c1c(C)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C20H20N4O3/c1-3-16(21-22-19(26)15-11-7-8-12-17(15)25)18-13(2)23-24(20(18)27)14-9-5-4-6-10-14/h4-12,23,25H,3H2,1-2H3,(H,22,26)/b21-16-
InChIKeyKYKCIEQEXXXUQV-PGMHBOJBSA-N
MW364.41 g/mol
LogP2.72
Rot. Bonds5

About 2-hydroxy-N-[(Z)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propylideneamino]benzamide

2-hydroxy-N-[(Z)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propylideneamino]benzamide (PubChem CID 135514370) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-hydroxy-N-[(Z)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(Z)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propylideneamino]benzamide
PubChem CID135514370
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-hydroxy-N-[(Z)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propylideneamino]benzamide
SMILESCC/C(=N/NC(=O)c1ccccc1O)c1c(C)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C20H20N4O3/c1-3-16(21-22-19(26)15-11-7-8-12-17(15)25)18-13(2)23-24(20(18)27)14-9-5-4-6-10-14/h4-12,23,25H,3H2,1-2H3,(H,22,26)/b21-16-
InChIKeyKYKCIEQEXXXUQV-PGMHBOJBSA-N
XLogP2.72
TPSA99.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.72
H-Bond Donors ≤ 53
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'}

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Related Compounds

Salicylanilide
CID 6872
n'-(4-(Diethylamino)-2-hydroxybenzylidene)-2-hydroxybenzohydrazide
CID 135472454
N-{4-[N-(2-hydroxybenzoyl)ethanehydrazonoyl]phenyl}benzamide
CID 9694778
N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-hydroxybenzamide
CID 900681
Benzoic acid, 2-hydroxy-, compd. with 1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one (1:1)
CID 101738
2-Pyrazolin-5-one, 1-[(2-hydroxyphenyl)carbonyl]-3-methyl-4-[(4-nitrophenyl)methylene]-
CID 5467414
(4E)-2-(2-hydroxybenzoyl)-5-methyl-4-[(3-nitrophenyl)methylene]pyrazol-3-one
CID 5467415
N-(4-Dimethylamino-phenyl)-3-[(2-hydroxy-benzoyl)-hydrazono]-butyramide
CID 9592148
2-oxidanyl-N-[(E)-1-[4-(2-phenylethanoylamino)phenyl]ethylideneamino]benzamide
CID 25237596
N-{4-[(1E)-1-{2-[(4-hydroxyphenyl)carbonyl]hydrazinylidene}ethyl]phenyl}-2-phenylacetamide
CID 25237598
2,4-dihydroxy-N'-{(Z)-[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}benzohydrazide
CID 135544679
N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-hydroxybenzohydrazide
CID 6890194

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(Z)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propylideneamino]benzamide?
The IUPAC name of 2-hydroxy-N-[(Z)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propylideneamino]benzamide (CID 135514370) is 2-hydroxy-N-[(Z)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(Z)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(Z)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propylideneamino]benzamide is CC/C(=N/NC(=O)c1ccccc1O)c1c(C)[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of 2-hydroxy-N-[(Z)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propylideneamino]benzamide?
The InChIKey is KYKCIEQEXXXUQV-PGMHBOJBSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-3-16(21-22-19(26)15-11-7-8-12-17(15)25)18-13(2)23-24(20(18)27)14-9-5-4-6-10-14/h4-12,23,25H,3H2,1-2H3,(H,22,26)/b21-16-.
What are the key properties of 2-hydroxy-N-[(Z)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propylideneamino]benzamide?
2-hydroxy-N-[(Z)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propylideneamino]benzamide has a molecular weight of 364.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(Z)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propylideneamino]benzamide is sourced from PubChem (CID 135514370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).