N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide

C17H14N4O — CID 136900537

IUPACN-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cn[nH]c1-c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14N4O/c22-17(14-9-5-2-6-10-14)21-19-12-15-11-18-20-16(15)13-7-3-1-4-8-13/h1-12H,(H,18,20)(H,21,22)/b19-12-
InChIKeyOXBADCWFAIHBRT-UNOMPAQXSA-N
MW290.33 g/mol
LogP2.84
Rot. Bonds4

About N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide

N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide (PubChem CID 136900537) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide
PubChem CID136900537
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC NameN-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cn[nH]c1-c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14N4O/c22-17(14-9-5-2-6-10-14)21-19-12-15-11-18-20-16(15)13-7-3-1-4-8-13/h1-12H,(H,18,20)(H,21,22)/b19-12-
InChIKeyOXBADCWFAIHBRT-UNOMPAQXSA-N
XLogP2.84
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-2-carboxamide
CID 135958015
N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 135425046
4-fluoro-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 135517068
2-methyl-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyrazole-3-carboxamide
CID 135621577
4-bromo-N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135892472
N-[(Z)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-hydroxybenzamide
CID 136728460
N-[(E)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-2-carboxamide
CID 135621572
4-fluoro-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135685168
2-methyl-3-phenyl-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propanamide
CID 135588723
(2R)-2-methyl-3-phenyl-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propanamide
CID 136749452
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-4-nitrobenzamide
CID 4748531
N-[(Z)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methylthiophene-3-carboxamide
CID 136728466

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide?
The IUPAC name of N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide (CID 136900537) is N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide?
The canonical SMILES for N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide is O=C(N/N=C\c1cn[nH]c1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide?
The InChIKey is OXBADCWFAIHBRT-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H14N4O/c22-17(14-9-5-2-6-10-14)21-19-12-15-11-18-20-16(15)13-7-3-1-4-8-13/h1-12H,(H,18,20)(H,21,22)/b19-12-.
What are the key properties of N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide?
N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide has a molecular weight of 290.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide is sourced from PubChem (CID 136900537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).