N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide

C15H16N4O2 — CID 6865615

IUPACN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
SMILESCC(/C=N/NC(=O)Cc1cc(=O)[nH][nH]1)=C\c1ccccc1
InChIInChI=1S/C15H16N4O2/c1-11(7-12-5-3-2-4-6-12)10-16-18-14(20)8-13-9-15(21)19-17-13/h2-7,9-10H,8H2,1H3,(H,18,20)(H2,17,19,21)/b11-7+,16-10+
InChIKeyQKUNHPLRVLQSFK-PADWXVCOSA-N
MW284.32 g/mol
LogP1.45
Rot. Bonds5

About N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide

N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide (PubChem CID 6865615) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
PubChem CID6865615
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
SMILESCC(/C=N/NC(=O)Cc1cc(=O)[nH][nH]1)=C\c1ccccc1
InChIInChI=1S/C15H16N4O2/c1-11(7-12-5-3-2-4-6-12)10-16-18-14(20)8-13-9-15(21)19-17-13/h2-7,9-10H,8H2,1H3,(H,18,20)(H2,17,19,21)/b11-7+,16-10+
InChIKeyQKUNHPLRVLQSFK-PADWXVCOSA-N
XLogP1.45
TPSA90.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.45
H-Bond Donors ≤ 53
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

2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6870053
N'-[(1E)-(2,6-dichlorophenyl)methylene]-2-(5-hydroxy-1H-pyrazol-3-yl)acetohydrazide
CID 6867421
N-[[(Z)-2-chloro-3-phenyl-prop-2-enylidene]amino]-2-(5-keto-3-pyrazolin-3-yl)acetamide
CID 6864559
N'-[(E)-(2-chlorophenyl)methylidene]-2-(5-hydroxy-1H-pyrazol-3-yl)acetohydrazide
CID 6885474
N'-[(E)-(2-Chloro-6-fluorophenyl)methylidene]-2-(5-hydroxy-1H-pyrazol-3-YL)acetohydrazide
CID 46496569
4-[[(Z)-benzylideneamino]-methylamino]-1H-pyridazin-6-one
CID 74890577
Benzylidene-2,4-dihydro-3h-pyrazol-3-one
CID 54193684
4-Benzylidenepyrazolone
CID 70602167
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 5083169
2-(3-hydroxy-1H-pyrazol-5-yl)-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}acetohydrazide
CID 6863085
N'-(4-F-Benzylidene)-2-(5-ME-3-oxo-2,3-dihydro-1H-pyrazol-4-YL)acetohydrazide
CID 6882186
N-[(E)-benzylideneamino]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
CID 9584128

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide?
The IUPAC name of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide (CID 6865615) is N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide.
What is the SMILES notation for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide?
The canonical SMILES for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide is CC(/C=N/NC(=O)Cc1cc(=O)[nH][nH]1)=C\c1ccccc1.
What is the InChIKey of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide?
The InChIKey is QKUNHPLRVLQSFK-PADWXVCOSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-11(7-12-5-3-2-4-6-12)10-16-18-14(20)8-13-9-15(21)19-17-13/h2-7,9-10H,8H2,1H3,(H,18,20)(H2,17,19,21)/b11-7+,16-10+.
What are the key properties of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide?
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide has a molecular weight of 284.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide is sourced from PubChem (CID 6865615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).