2-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]acetamide

C16H20N4O3 — CID 3418713

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccc(C=NNC(=O)Cn2nc(C)cc2C)cc1O
InChIInChI=1S/C16H20N4O3/c1-4-23-15-6-5-13(8-14(15)21)9-17-18-16(22)10-20-12(3)7-11(2)19-20/h5-9,21H,4,10H2,1-3H3,(H,18,22)
InChIKeyQZPXPNVMOUKAMH-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.75
Rot. Bonds6

About 2-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 3418713) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]acetamide
PubChem CID3418713
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccc(C=NNC(=O)Cn2nc(C)cc2C)cc1O
InChIInChI=1S/C16H20N4O3/c1-4-23-15-6-5-13(8-14(15)21)9-17-18-16(22)10-20-12(3)7-11(2)19-20/h5-9,21H,4,10H2,1-3H3,(H,18,22)
InChIKeyQZPXPNVMOUKAMH-UHFFFAOYSA-N
XLogP1.75
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.75
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

2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136663517
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 135582558
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 135688704
2-(3,5-dimethylpyrazol-1-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide
CID 745941
N-[(Z)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 5424576
methyl 4-[(E)-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate
CID 46804575
2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 6889379
2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 5400153
N-[(E)-(3-bromophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 6887625
N-(4-bromophenyl)-N'-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]butanediamide
CID 5016770
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 6886093
N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
CID 135884833

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]acetamide (CID 3418713) is 2-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]acetamide is CCOc1ccc(C=NNC(=O)Cn2nc(C)cc2C)cc1O.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is QZPXPNVMOUKAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-4-23-15-6-5-13(8-14(15)21)9-17-18-16(22)10-20-12(3)7-11(2)19-20/h5-9,21H,4,10H2,1-3H3,(H,18,22).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 316.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 3418713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).