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

C14H16N4O2 — CID 6069999

IUPAC2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
SMILESCc1ccc(/C=N\NC(=O)Cc2c(C)[nH][nH]c2=O)cc1
InChIInChI=1S/C14H16N4O2/c1-9-3-5-11(6-4-9)8-15-17-13(19)7-12-10(2)16-18-14(12)20/h3-6,8H,7H2,1-2H3,(H,17,19)(H2,16,18,20)/b15-8-
InChIKeyROVPEUDHSCURPW-NVNXTCNLSA-N
MW272.31 g/mol
LogP1.01
Rot. Bonds4

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

2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide (PubChem CID 6069999) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
PubChem CID6069999
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
SMILESCc1ccc(/C=N\NC(=O)Cc2c(C)[nH][nH]c2=O)cc1
InChIInChI=1S/C14H16N4O2/c1-9-3-5-11(6-4-9)8-15-17-13(19)7-12-10(2)16-18-14(12)20/h3-6,8H,7H2,1-2H3,(H,17,19)(H2,16,18,20)/b15-8-
InChIKeyROVPEUDHSCURPW-NVNXTCNLSA-N
XLogP1.01
TPSA90.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.01
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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Related Compounds

2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
CID 6884838
N-[(4-methylphenyl)methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 4504862
2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(thiophen-2-ylmethylideneamino)acetamide
CID 681491
methyl 4-[[3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanoylhydrazinylidene]methyl]benzoate
CID 1405159
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 135684132
[4-[(Z)-[[2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 110526232
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 4127036
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 110526131
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide
CID 6864719
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
CID 110526268
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 5420756
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide (CID 6069999) is 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide is Cc1ccc(/C=N\NC(=O)Cc2c(C)[nH][nH]c2=O)cc1.
What is the InChIKey of 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide?
The InChIKey is ROVPEUDHSCURPW-NVNXTCNLSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-3-5-11(6-4-9)8-15-17-13(19)7-12-10(2)16-18-14(12)20/h3-6,8H,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)-(4-methylphenyl)methylideneamino]acetamide?
2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide has a molecular weight of 272.31 g/mol, XLogP of 1.01, 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-[(Z)-(4-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6069999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).