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

C14H16N4O4 — CID 6163721

IUPACN-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide
SMILESCOc1ccc(OC)c(/C=N\NC(=O)CC2=NNC(=O)C2)c1
InChIInChI=1S/C14H16N4O4/c1-21-11-3-4-12(22-2)9(5-11)8-15-17-13(19)6-10-7-14(20)18-16-10/h3-5,8H,6-7H2,1-2H3,(H,17,19)(H,18,20)/b15-8-
InChIKeyHUGXKTNSTWJDOS-NVNXTCNLSA-N
MW304.31 g/mol
LogP0.42
Rot. Bonds6

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

N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide (PubChem CID 6163721) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide
PubChem CID6163721
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC NameN-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide
SMILESCOc1ccc(OC)c(/C=N\NC(=O)CC2=NNC(=O)C2)c1
InChIInChI=1S/C14H16N4O4/c1-21-11-3-4-12(22-2)9(5-11)8-15-17-13(19)6-10-7-14(20)18-16-10/h3-5,8H,6-7H2,1-2H3,(H,17,19)(H,18,20)/b15-8-
InChIKeyHUGXKTNSTWJDOS-NVNXTCNLSA-N
XLogP0.42
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[(4-ethoxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide
CID 4285512
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide
CID 136904961
2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6300942
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide
CID 135699718
2-[2-[(Z)-[[2-(5-oxo-1,4-dihydropyrazol-3-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6084449
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide
CID 4552108
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide
CID 3619395
N-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 6260724
2-(azepan-1-yl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 5338398
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 3962833
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2-chloro-5-methoxyphenyl)acetamide
CID 110524973

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide?
The IUPAC name of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide (CID 6163721) is N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide.
What is the SMILES notation for N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide?
The canonical SMILES for N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide is COc1ccc(OC)c(/C=N\NC(=O)CC2=NNC(=O)C2)c1.
What is the InChIKey of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide?
The InChIKey is HUGXKTNSTWJDOS-NVNXTCNLSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-21-11-3-4-12(22-2)9(5-11)8-15-17-13(19)6-10-7-14(20)18-16-10/h3-5,8H,6-7H2,1-2H3,(H,17,19)(H,18,20)/b15-8-.
What are the key properties of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide?
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide has a molecular weight of 304.31 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide is sourced from PubChem (CID 6163721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).