2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide

C18H18N4O2 — CID 5392999

IUPAC2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cc1c(C)[nH][nH]c1=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H18N4O2/c1-11(14-8-7-13-5-3-4-6-15(13)9-14)19-21-17(23)10-16-12(2)20-22-18(16)24/h3-9H,10H2,1-2H3,(H,21,23)(H2,20,22,24)/b19-11+
InChIKeyFRTQJQBGMVOXDM-YBFXNURJSA-N
MW322.37 g/mol
LogP2.25
Rot. Bonds4

About 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide

2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide (PubChem CID 5392999) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide
PubChem CID5392999
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cc1c(C)[nH][nH]c1=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H18N4O2/c1-11(14-8-7-13-5-3-4-6-15(13)9-14)19-21-17(23)10-16-12(2)20-22-18(16)24/h3-9H,10H2,1-2H3,(H,21,23)(H2,20,22,24)/b19-11+
InChIKeyFRTQJQBGMVOXDM-YBFXNURJSA-N
XLogP2.25
TPSA90.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.25
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-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide?
The IUPAC name of 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide (CID 5392999) is 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide.
What is the SMILES notation for 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide?
The canonical SMILES for 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide is C/C(=N\NC(=O)Cc1c(C)[nH][nH]c1=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide?
The InChIKey is FRTQJQBGMVOXDM-YBFXNURJSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11(14-8-7-13-5-3-4-6-15(13)9-14)19-21-17(23)10-16-12(2)20-22-18(16)24/h3-9H,10H2,1-2H3,(H,21,23)(H2,20,22,24)/b19-11+.
What are the key properties of 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide?
2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide has a molecular weight of 322.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide is sourced from PubChem (CID 5392999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).