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

C23H18N4O2 — CID 1051210

IUPACN-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-hydroxybenzamide
SMILESO=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc(O)c1
InChIInChI=1S/C23H18N4O2/c28-21-13-7-10-18(14-21)23(29)25-24-15-19-16-27(20-11-5-2-6-12-20)26-22(19)17-8-3-1-4-9-17/h1-16,28H,(H,25,29)
InChIKeyIOWHDJZTTYTVBO-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.01
Rot. Bonds5

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

N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-hydroxybenzamide (PubChem CID 1051210) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-hydroxybenzamide
PubChem CID1051210
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-hydroxybenzamide
SMILESO=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc(O)c1
InChIInChI=1S/C23H18N4O2/c28-21-13-7-10-18(14-21)23(29)25-24-15-19-16-27(20-11-5-2-6-12-20)26-22(19)17-8-3-1-4-9-17/h1-16,28H,(H,25,29)
InChIKeyIOWHDJZTTYTVBO-UHFFFAOYSA-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-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide
CID 6906212
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
CID 6179485
N-[[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-hydroxybenzamide
CID 2330365
N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-(4-phenyltriazol-1-yl)benzamide
CID 162664511
N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 9073073
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-nitrobenzamide
CID 2319723
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
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
3-bromo-N-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide
CID 6022091
4-chloro-N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 6872953

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-hydroxybenzamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-hydroxybenzamide (CID 1051210) is N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-hydroxybenzamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-hydroxybenzamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-hydroxybenzamide is O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc(O)c1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-hydroxybenzamide?
The InChIKey is IOWHDJZTTYTVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c28-21-13-7-10-18(14-21)23(29)25-24-15-19-16-27(20-11-5-2-6-12-20)26-22(19)17-8-3-1-4-9-17/h1-16,28H,(H,25,29).
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-hydroxybenzamide?
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-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-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-hydroxybenzamide is sourced from PubChem (CID 1051210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).