N-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylideneamino]benzamide

C19H18N4O2 — CID 135411765

IUPACN-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccccc1)c1c(C)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C19H18N4O2/c1-13(20-21-18(24)15-9-5-3-6-10-15)17-14(2)22-23(19(17)25)16-11-7-4-8-12-16/h3-12,22H,1-2H3,(H,21,24)/b20-13+
InChIKeyFBWBMPHHFONXTC-DEDYPNTBSA-N
MW334.38 g/mol
LogP2.63
Rot. Bonds4

About N-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylideneamino]benzamide

N-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylideneamino]benzamide (PubChem CID 135411765) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylideneamino]benzamide
PubChem CID135411765
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccccc1)c1c(C)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C19H18N4O2/c1-13(20-21-18(24)15-9-5-3-6-10-15)17-14(2)22-23(19(17)25)16-11-7-4-8-12-16/h3-12,22H,1-2H3,(H,21,24)/b20-13+
InChIKeyFBWBMPHHFONXTC-DEDYPNTBSA-N
XLogP2.63
TPSA79.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylideneamino]benzamide?
The IUPAC name of N-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylideneamino]benzamide (CID 135411765) is N-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylideneamino]benzamide.
What is the SMILES notation for N-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylideneamino]benzamide?
The canonical SMILES for N-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylideneamino]benzamide is C/C(=N\NC(=O)c1ccccc1)c1c(C)[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of N-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylideneamino]benzamide?
The InChIKey is FBWBMPHHFONXTC-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13(20-21-18(24)15-9-5-3-6-10-15)17-14(2)22-23(19(17)25)16-11-7-4-8-12-16/h3-12,22H,1-2H3,(H,21,24)/b20-13+.
What are the key properties of N-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylideneamino]benzamide?
N-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylideneamino]benzamide has a molecular weight of 334.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylideneamino]benzamide is sourced from PubChem (CID 135411765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).