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

C13H15N5O2 — CID 5393103

IUPAC2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cc1c(C)[nH][nH]c1=O)c1cccnc1
InChIInChI=1S/C13H15N5O2/c1-8(10-4-3-5-14-7-10)15-17-12(19)6-11-9(2)16-18-13(11)20/h3-5,7H,6H2,1-2H3,(H,17,19)(H2,16,18,20)/b15-8+
InChIKeyFMTHYMOVDJOYBS-OVCLIPMQSA-N
MW273.30 g/mol
LogP0.49
Rot. Bonds4

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

2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide (PubChem CID 5393103) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
PubChem CID5393103
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cc1c(C)[nH][nH]c1=O)c1cccnc1
InChIInChI=1S/C13H15N5O2/c1-8(10-4-3-5-14-7-10)15-17-12(19)6-11-9(2)16-18-13(11)20/h3-5,7H,6H2,1-2H3,(H,17,19)(H2,16,18,20)/b15-8+
InChIKeyFMTHYMOVDJOYBS-OVCLIPMQSA-N
XLogP0.49
TPSA103.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.49
H-Bond Donors ≤ 53
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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Related Compounds

2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide
CID 6054179
2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
CID 5414702
2-(4-hydroxyphenyl)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 24818553
2-(4-bromophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
CID 25237297
[(Z)-1-pyridin-3-ylethylideneamino]urea
CID 5355222
ethyl N-(1-pyridin-3-ylethylideneamino)carbamate
CID 4153346
N-(1-pyridin-3-ylethylideneamino)nonanamide
CID 5136280
N-(1-pyridin-3-ylethylideneamino)heptanamide
CID 4162270
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide
CID 6981886
2-(4-bromophenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
CID 9359023
2-(4-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 4047158
2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(1-pyridin-3-ylpentyl)acetamide
CID 122570848

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide?
The IUPAC name of 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide (CID 5393103) is 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide.
What is the SMILES notation for 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide?
The canonical SMILES for 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide is C/C(=N\NC(=O)Cc1c(C)[nH][nH]c1=O)c1cccnc1.
What is the InChIKey of 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide?
The InChIKey is FMTHYMOVDJOYBS-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8(10-4-3-5-14-7-10)15-17-12(19)6-11-9(2)16-18-13(11)20/h3-5,7H,6H2,1-2H3,(H,17,19)(H2,16,18,20)/b15-8+.
What are the key properties of 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide?
2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide has a molecular weight of 273.30 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 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-pyridin-3-ylethylideneamino]acetamide is sourced from PubChem (CID 5393103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).