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

C20H18N4O2 — CID 159791235

IUPACN-[2-oxo-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propyl]benzamide
SMILESO=C(C/N=C/c1cn[nH]c1-c1ccccc1)CNC(=O)c1ccccc1
InChIInChI=1S/C20H18N4O2/c25-18(14-22-20(26)16-9-5-2-6-10-16)13-21-11-17-12-23-24-19(17)15-7-3-1-4-8-15/h1-12H,13-14H2,(H,22,26)(H,23,24)/b21-11+
InChIKeyNIOWORUKVZODLM-SRZZPIQSSA-N
MW346.39 g/mol
LogP2.49
Rot. Bonds7

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

N-[2-oxo-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propyl]benzamide (PubChem CID 159791235) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[2-oxo-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propyl]benzamide
PubChem CID159791235
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[2-oxo-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propyl]benzamide
SMILESO=C(C/N=C/c1cn[nH]c1-c1ccccc1)CNC(=O)c1ccccc1
InChIInChI=1S/C20H18N4O2/c25-18(14-22-20(26)16-9-5-2-6-10-16)13-21-11-17-12-23-24-19(17)15-7-3-1-4-8-15/h1-12H,13-14H2,(H,22,26)(H,23,24)/b21-11+
InChIKeyNIOWORUKVZODLM-SRZZPIQSSA-N
XLogP2.49
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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
N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide
CID 136900537
2-chloro-N-[2-oxo-2-[2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 3376746
N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-2-carboxamide
CID 135958015
2-[(2-phenoxyacetyl)amino]-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 3895912
2-methyl-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyrazole-3-carboxamide
CID 135621577
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
1-nitro-2-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]guanidine
CID 3544962
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

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propyl]benzamide?
The IUPAC name of N-[2-oxo-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propyl]benzamide (CID 159791235) is N-[2-oxo-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propyl]benzamide.
What is the SMILES notation for N-[2-oxo-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propyl]benzamide?
The canonical SMILES for N-[2-oxo-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propyl]benzamide is O=C(C/N=C/c1cn[nH]c1-c1ccccc1)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-oxo-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propyl]benzamide?
The InChIKey is NIOWORUKVZODLM-SRZZPIQSSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-18(14-22-20(26)16-9-5-2-6-10-16)13-21-11-17-12-23-24-19(17)15-7-3-1-4-8-15/h1-12H,13-14H2,(H,22,26)(H,23,24)/b21-11+.
What are the key properties of N-[2-oxo-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propyl]benzamide?
N-[2-oxo-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propyl]benzamide has a molecular weight of 346.39 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propyl]benzamide is sourced from PubChem (CID 159791235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).