4-methoxy-N-[(Z)-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide

C20H20N4O3 — CID 5452451

IUPAC4-methoxy-N-[(Z)-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2c(C)nn(-c3ccccc3)c2OC)cc1
InChIInChI=1S/C20H20N4O3/c1-14-18(20(27-3)24(23-14)16-7-5-4-6-8-16)13-21-22-19(25)15-9-11-17(26-2)12-10-15/h4-13H,1-3H3,(H,22,25)/b21-13-
InChIKeyPIAIENDWMZHDOD-BKUYFWCQSA-N
MW364.41 g/mol
LogP2.96
Rot. Bonds6

About 4-methoxy-N-[(Z)-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide

4-methoxy-N-[(Z)-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide (PubChem CID 5452451) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-methoxy-N-[(Z)-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(Z)-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide
PubChem CID5452451
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name4-methoxy-N-[(Z)-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2c(C)nn(-c3ccccc3)c2OC)cc1
InChIInChI=1S/C20H20N4O3/c1-14-18(20(27-3)24(23-14)16-7-5-4-6-8-16)13-21-22-19(25)15-9-11-17(26-2)12-10-15/h4-13H,1-3H3,(H,22,25)/b21-13-
InChIKeyPIAIENDWMZHDOD-BKUYFWCQSA-N
XLogP2.96
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide
CID 6200239
N-[(E)-[5-(4-ethoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 42993077
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-4-ethoxybenzamide
CID 9215095
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 16553512
4-bromo-N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 6871391
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998225
N-[(E)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-2-(2-methoxyanilino)acetamide
CID 6893267
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3,5-dihydroxybenzamide
CID 17126791
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-4-nitrobenzamide
CID 9014963
4-methoxy-N-[(E)-(4-phenoxyphenyl)methylideneamino]benzamide
CID 96843104
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 166606581
4-methoxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50855117

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(Z)-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide?
The IUPAC name of 4-methoxy-N-[(Z)-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide (CID 5452451) is 4-methoxy-N-[(Z)-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(Z)-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide?
The canonical SMILES for 4-methoxy-N-[(Z)-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide is COc1ccc(C(=O)N/N=C\c2c(C)nn(-c3ccccc3)c2OC)cc1.
What is the InChIKey of 4-methoxy-N-[(Z)-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide?
The InChIKey is PIAIENDWMZHDOD-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14-18(20(27-3)24(23-14)16-7-5-4-6-8-16)13-21-22-19(25)15-9-11-17(26-2)12-10-15/h4-13H,1-3H3,(H,22,25)/b21-13-.
What are the key properties of 4-methoxy-N-[(Z)-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide?
4-methoxy-N-[(Z)-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide has a molecular weight of 364.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(Z)-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide is sourced from PubChem (CID 5452451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).