N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide

C14H16N4O3 — CID 136721160

IUPACN-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCOc1cccc(/C=N\NC(=O)Cn2ccc(C)n2)c1O
InChIInChI=1S/C14H16N4O3/c1-10-6-7-18(17-10)9-13(19)16-15-8-11-4-3-5-12(21-2)14(11)20/h3-8,20H,9H2,1-2H3,(H,16,19)/b15-8-
InChIKeySSSDDYCZLISNPQ-NVNXTCNLSA-N
MW288.31 g/mol
LogP1.06
Rot. Bonds5

About N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide

N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide (PubChem CID 136721160) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide
PubChem CID136721160
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCOc1cccc(/C=N\NC(=O)Cn2ccc(C)n2)c1O
InChIInChI=1S/C14H16N4O3/c1-10-6-7-18(17-10)9-13(19)16-15-8-11-4-3-5-12(21-2)14(11)20/h3-8,20H,9H2,1-2H3,(H,16,19)/b15-8-
InChIKeySSSDDYCZLISNPQ-NVNXTCNLSA-N
XLogP1.06
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135648904
2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 948077
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]hexanamide
CID 135458849
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate
CID 135458848
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-nitroacetamide
CID 135645954
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide
CID 135533696
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide
CID 4127873
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 135717008
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 5424345

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide (CID 136721160) is N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide is COc1cccc(/C=N\NC(=O)Cn2ccc(C)n2)c1O.
What is the InChIKey of N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide?
The InChIKey is SSSDDYCZLISNPQ-NVNXTCNLSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-10-6-7-18(17-10)9-13(19)16-15-8-11-4-3-5-12(21-2)14(11)20/h3-8,20H,9H2,1-2H3,(H,16,19)/b15-8-.
What are the key properties of N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide?
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide has a molecular weight of 288.31 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 136721160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).