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

C14H14N4O2 — CID 6870053

IUPAC2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESO=C(Cc1cc(=O)[nH][nH]1)N/N=C/C=C/c1ccccc1
InChIInChI=1S/C14H14N4O2/c19-13(9-12-10-14(20)18-16-12)17-15-8-4-7-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,19)(H2,16,18,20)/b7-4+,15-8+
InChIKeyFYVVJTZSEOXUIW-DUEVJXGLSA-N
MW270.29 g/mol
LogP1.06
Rot. Bonds5

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

2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide (PubChem CID 6870053) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
PubChem CID6870053
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESO=C(Cc1cc(=O)[nH][nH]1)N/N=C/C=C/c1ccccc1
InChIInChI=1S/C14H14N4O2/c19-13(9-12-10-14(20)18-16-12)17-15-8-4-7-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,19)(H2,16,18,20)/b7-4+,15-8+
InChIKeyFYVVJTZSEOXUIW-DUEVJXGLSA-N
XLogP1.06
TPSA90.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.06
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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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide (CID 6870053) is 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is O=C(Cc1cc(=O)[nH][nH]1)N/N=C/C=C/c1ccccc1.
What is the InChIKey of 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The InChIKey is FYVVJTZSEOXUIW-DUEVJXGLSA-N. The full InChI is InChI=1S/C14H14N4O2/c19-13(9-12-10-14(20)18-16-12)17-15-8-4-7-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,19)(H2,16,18,20)/b7-4+,15-8+.
What are the key properties of 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide has a molecular weight of 270.29 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 6870053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).