4-methoxy-N-[(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)methylideneamino]benzamide

C24H20N6O3 — CID 3807082

IUPAC4-methoxy-N-[(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)NN=Cc2[nH]n(-c3ccccc3)c(=O)c2/N=N/c2ccccc2)cc1
InChIInChI=1S/C24H20N6O3/c1-33-20-14-12-17(13-15-20)23(31)28-25-16-21-22(27-26-18-8-4-2-5-9-18)24(32)30(29-21)19-10-6-3-7-11-19/h2-16,29H,1H3,(H,28,31)/b25-16?,27-26+
InChIKeyICWQTJCCQYZKMS-XVSUMCTESA-N
MW440.46 g/mol
LogP4.35
Rot. Bonds7

About 4-methoxy-N-[(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)methylideneamino]benzamide

4-methoxy-N-[(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)methylideneamino]benzamide (PubChem CID 3807082) has the molecular formula C24H20N6O3 and a molecular weight of 440.46 g/mol. Its IUPAC name is 4-methoxy-N-[(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)methylideneamino]benzamide
PubChem CID3807082
Molecular FormulaC24H20N6O3
Molecular Weight440.46 g/mol
Exact Mass440.16
IUPAC Name4-methoxy-N-[(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)NN=Cc2[nH]n(-c3ccccc3)c(=O)c2/N=N/c2ccccc2)cc1
InChIInChI=1S/C24H20N6O3/c1-33-20-14-12-17(13-15-20)23(31)28-25-16-21-22(27-26-18-8-4-2-5-9-18)24(32)30(29-21)19-10-6-3-7-11-19/h2-16,29H,1H3,(H,28,31)/b25-16?,27-26+
InChIKeyICWQTJCCQYZKMS-XVSUMCTESA-N
XLogP4.35
TPSA113.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50855117
3-[[5-(4-methoxyphenyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]diazenyl]benzoic acid
CID 135645862
4-methoxy-N-[(E)-(4-phenoxyphenyl)methylideneamino]benzamide
CID 96843104
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 166606581
4-fluoro-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide
CID 135579257
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide
CID 1039675
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide
CID 6200239
4-[2-[(Z)-[(4-methoxybenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid
CID 126239658
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215527
4-methoxy-N-[(Z)-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 5452451

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)methylideneamino]benzamide?
The IUPAC name of 4-methoxy-N-[(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)methylideneamino]benzamide (CID 3807082) is 4-methoxy-N-[(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)methylideneamino]benzamide?
The canonical SMILES for 4-methoxy-N-[(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)methylideneamino]benzamide is COc1ccc(C(=O)NN=Cc2[nH]n(-c3ccccc3)c(=O)c2/N=N/c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-[(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)methylideneamino]benzamide?
The InChIKey is ICWQTJCCQYZKMS-XVSUMCTESA-N. The full InChI is InChI=1S/C24H20N6O3/c1-33-20-14-12-17(13-15-20)23(31)28-25-16-21-22(27-26-18-8-4-2-5-9-18)24(32)30(29-21)19-10-6-3-7-11-19/h2-16,29H,1H3,(H,28,31)/b25-16?,27-26+.
What are the key properties of 4-methoxy-N-[(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)methylideneamino]benzamide?
4-methoxy-N-[(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)methylideneamino]benzamide has a molecular weight of 440.46 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)methylideneamino]benzamide is sourced from PubChem (CID 3807082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).