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

C13H15N5O2 — CID 6054179

IUPAC2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cc1c(C)[nH][nH]c1=O)c1ccncc1
InChIInChI=1S/C13H15N5O2/c1-8(10-3-5-14-6-4-10)15-17-12(19)7-11-9(2)16-18-13(11)20/h3-6H,7H2,1-2H3,(H,17,19)(H2,16,18,20)/b15-8-
InChIKeyLLPBCZXKSIIABI-NVNXTCNLSA-N
MW273.30 g/mol
LogP0.49
Rot. Bonds4

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

2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide (PubChem CID 6054179) 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-[(Z)-1-pyridin-4-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide
PubChem CID6054179
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cc1c(C)[nH][nH]c1=O)c1ccncc1
InChIInChI=1S/C13H15N5O2/c1-8(10-3-5-14-6-4-10)15-17-12(19)7-11-9(2)16-18-13(11)20/h3-6H,7H2,1-2H3,(H,17,19)(H2,16,18,20)/b15-8-
InChIKeyLLPBCZXKSIIABI-NVNXTCNLSA-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-[(E)-1-pyridin-3-ylethylideneamino]acetamide
CID 5393103
3-oxo-N-(1-pyridin-4-ylethylideneamino)butanamide
CID 54265002
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide
CID 6981886
trimethyl-[2-oxo-2-[2-(1-pyridin-4-ylethylidene)hydrazinyl]ethyl]azanium
CID 54047416
N-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide
CID 5393099
3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]propanamide
CID 6252712
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
(1-pyridin-4-ylethylideneamino)urea
CID 2755736
N-[(Z)-1-pyridin-4-ylethylideneamino]nonanamide
CID 6373697
2-phenylacetic acid;N-(1-pyridin-4-ylethylideneamino)butanamide
CID 161253554
2-(2-methyl-1H-indol-3-yl)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]acetamide
CID 27876405
2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
CID 5414702

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide?
The IUPAC name of 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide (CID 6054179) is 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide.
What is the SMILES notation for 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide?
The canonical SMILES for 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide is C/C(=N/NC(=O)Cc1c(C)[nH][nH]c1=O)c1ccncc1.
What is the InChIKey of 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide?
The InChIKey is LLPBCZXKSIIABI-NVNXTCNLSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8(10-3-5-14-6-4-10)15-17-12(19)7-11-9(2)16-18-13(11)20/h3-6H,7H2,1-2H3,(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-[(Z)-1-pyridin-4-ylethylideneamino]acetamide?
2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-1-pyridin-4-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-[(Z)-1-pyridin-4-ylethylideneamino]acetamide is sourced from PubChem (CID 6054179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).