N-[[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-hydroxybenzamide

C23H16Cl2N4O2 — CID 2330365

IUPACN-[[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-hydroxybenzamide
SMILESO=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl)c1cccc(O)c1
InChIInChI=1S/C23H16Cl2N4O2/c24-17-9-10-20(21(25)12-17)22-16(14-29(28-22)18-6-2-1-3-7-18)13-26-27-23(31)15-5-4-8-19(30)11-15/h1-14,30H,(H,27,31)
InChIKeyXWJZWERIRJLGPS-UHFFFAOYSA-N
MW451.31 g/mol
LogP5.32
Rot. Bonds5

About N-[[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-hydroxybenzamide

N-[[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-hydroxybenzamide (PubChem CID 2330365) has the molecular formula C23H16Cl2N4O2 and a molecular weight of 451.31 g/mol. Its IUPAC name is N-[[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-hydroxybenzamide
PubChem CID2330365
Molecular FormulaC23H16Cl2N4O2
Molecular Weight451.31 g/mol
Exact Mass450.07
IUPAC NameN-[[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-hydroxybenzamide
SMILESO=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl)c1cccc(O)c1
InChIInChI=1S/C23H16Cl2N4O2/c24-17-9-10-20(21(25)12-17)22-16(14-29(28-22)18-6-2-1-3-7-18)13-26-27-23(31)15-5-4-8-19(30)11-15/h1-14,30H,(H,27,31)
InChIKeyXWJZWERIRJLGPS-UHFFFAOYSA-N
XLogP5.32
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.31
LogP ≤ 55.32
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 N-[[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-hydroxybenzamide 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

N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-hydroxybenzamide
CID 1051210
N-[(E)-[3-(2,4-dihydroxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-(4-phenyltriazol-1-yl)benzamide
CID 162654759
N-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 9015279
4-amino-N-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9071101
2,4-dichloro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 126372269
N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide
CID 6906212
4-chloro-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 2222769
4-chloro-N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 6872953
2,5-dichloro-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide
CID 2127687
4-amino-N-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9071102
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 51061895
4-chloro-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 1363818

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-hydroxybenzamide?
The IUPAC name of N-[[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-hydroxybenzamide (CID 2330365) is N-[[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-hydroxybenzamide.
What is the SMILES notation for N-[[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-hydroxybenzamide?
The canonical SMILES for N-[[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-hydroxybenzamide is O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl)c1cccc(O)c1.
What is the InChIKey of N-[[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-hydroxybenzamide?
The InChIKey is XWJZWERIRJLGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N4O2/c24-17-9-10-20(21(25)12-17)22-16(14-29(28-22)18-6-2-1-3-7-18)13-26-27-23(31)15-5-4-8-19(30)11-15/h1-14,30H,(H,27,31).
What are the key properties of N-[[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-hydroxybenzamide?
N-[[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-hydroxybenzamide has a molecular weight of 451.31 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-hydroxybenzamide is sourced from PubChem (CID 2330365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).