N-(naphthalen-1-ylmethylideneamino)-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide

C16H14N4O2 — CID 3433687

IUPACN-(naphthalen-1-ylmethylideneamino)-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
SMILESO=C(Cc1cc(=O)[nH][nH]1)NN=Cc1cccc2ccccc12
InChIInChI=1S/C16H14N4O2/c21-15(8-13-9-16(22)20-18-13)19-17-10-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,9-10H,8H2,(H,19,21)(H2,18,20,22)
InChIKeyPJDUKSBRWQYPCT-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.55
Rot. Bonds4

About N-(naphthalen-1-ylmethylideneamino)-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide

N-(naphthalen-1-ylmethylideneamino)-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide (PubChem CID 3433687) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethylideneamino)-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethylideneamino)-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
PubChem CID3433687
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-(naphthalen-1-ylmethylideneamino)-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
SMILESO=C(Cc1cc(=O)[nH][nH]1)NN=Cc1cccc2ccccc12
InChIInChI=1S/C16H14N4O2/c21-15(8-13-9-16(22)20-18-13)19-17-10-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,9-10H,8H2,(H,19,21)(H2,18,20,22)
InChIKeyPJDUKSBRWQYPCT-UHFFFAOYSA-N
XLogP1.55
TPSA90.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.55
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'}

Analyze N-(naphthalen-1-ylmethylideneamino)-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-hydroxy-1H-pyrazol-3-yl)-N'-[(1E)-1-naphthylmethylene]acetohydrazide
CID 45105902
2-(5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-N'-[(1E)-1-(2-naphthyl)ethylidene]acetohydrazide
CID 5392999
2-(3-hydroxy-1H-pyrazol-5-yl)-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}acetohydrazide
CID 6863085
2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 931448
2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 5421347
CID 687764
CID 687764
4-naphthalen-1-yl-1H-pyridazin-6-one
CID 66730166
N-[(4-ethylphenyl)methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 1529026
N-[(4-tert-butylphenyl)methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 1544341
2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 1544354
N-(naphthalen-1-ylmethylideneamino)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 1689664
2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 1920103

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethylideneamino)-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide?
The IUPAC name of N-(naphthalen-1-ylmethylideneamino)-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide (CID 3433687) is N-(naphthalen-1-ylmethylideneamino)-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide.
What is the SMILES notation for N-(naphthalen-1-ylmethylideneamino)-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide?
The canonical SMILES for N-(naphthalen-1-ylmethylideneamino)-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide is O=C(Cc1cc(=O)[nH][nH]1)NN=Cc1cccc2ccccc12.
What is the InChIKey of N-(naphthalen-1-ylmethylideneamino)-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide?
The InChIKey is PJDUKSBRWQYPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-15(8-13-9-16(22)20-18-13)19-17-10-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,9-10H,8H2,(H,19,21)(H2,18,20,22).
What are the key properties of N-(naphthalen-1-ylmethylideneamino)-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide?
N-(naphthalen-1-ylmethylideneamino)-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide has a molecular weight of 294.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethylideneamino)-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide is sourced from PubChem (CID 3433687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).