N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide

C23H18N4O2 — CID 6906212

IUPACN-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide
SMILESO=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C23H18N4O2/c28-21-13-11-18(12-14-21)23(29)25-24-15-19-16-27(20-9-5-2-6-10-20)26-22(19)17-7-3-1-4-8-17/h1-16,28H,(H,25,29)/b24-15+
InChIKeyKBERLOIVWYYJIZ-BUVRLJJBSA-N
MW382.42 g/mol
LogP4.01
Rot. Bonds5

About N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide

N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide (PubChem CID 6906212) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide
PubChem CID6906212
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC NameN-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide
SMILESO=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C23H18N4O2/c28-21-13-11-18(12-14-21)23(29)25-24-15-19-16-27(20-9-5-2-6-10-20)26-22(19)17-7-3-1-4-8-17/h1-16,28H,(H,25,29)/b24-15+
InChIKeyKBERLOIVWYYJIZ-BUVRLJJBSA-N
XLogP4.01
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.01
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'}

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Related Compounds

N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 9073073
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
CID 6179485
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-hydroxybenzamide
CID 1051210
4-chloro-N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 6872953
4-chloro-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 2222769
4-amino-N-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9071102
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 6024301
N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
CID 6899097
4-amino-N-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9071101
4-chloro-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 1363818
4-[1-(4-carboxyphenyl)-4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]pyrazol-3-yl]benzoic acid
CID 164517437
N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-(4-phenyltriazol-1-yl)benzamide
CID 162664511

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide (CID 6906212) is N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide is O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide?
The InChIKey is KBERLOIVWYYJIZ-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H18N4O2/c28-21-13-11-18(12-14-21)23(29)25-24-15-19-16-27(20-9-5-2-6-10-20)26-22(19)17-7-3-1-4-8-17/h1-16,28H,(H,25,29)/b24-15+.
What are the key properties of N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide?
N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide has a molecular weight of 382.42 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 6906212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).