N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-methyl-N'-[(3-methylphenyl)methyl]oxamide

C17H22N4O3 — CID 126814513

IUPACN-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-methyl-N'-[(3-methylphenyl)methyl]oxamide
SMILESCOCCn1ccc(NC(=O)C(=O)N(C)Cc2cccc(C)c2)n1
InChIInChI=1S/C17H22N4O3/c1-13-5-4-6-14(11-13)12-20(2)17(23)16(22)18-15-7-8-21(19-15)9-10-24-3/h4-8,11H,9-10,12H2,1-3H3,(H,18,19,22)
InChIKeyGUPXGUFRXAWQOU-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.44
Rot. Bonds6

About N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-methyl-N'-[(3-methylphenyl)methyl]oxamide

N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-methyl-N'-[(3-methylphenyl)methyl]oxamide (PubChem CID 126814513) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-methyl-N'-[(3-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-methyl-N'-[(3-methylphenyl)methyl]oxamide
PubChem CID126814513
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-methyl-N'-[(3-methylphenyl)methyl]oxamide
SMILESCOCCn1ccc(NC(=O)C(=O)N(C)Cc2cccc(C)c2)n1
InChIInChI=1S/C17H22N4O3/c1-13-5-4-6-14(11-13)12-20(2)17(23)16(22)18-15-7-8-21(19-15)9-10-24-3/h4-8,11H,9-10,12H2,1-3H3,(H,18,19,22)
InChIKeyGUPXGUFRXAWQOU-UHFFFAOYSA-N
XLogP1.44
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-methyl-N'-[(3-methylphenyl)methyl]oxamide?
The IUPAC name of N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-methyl-N'-[(3-methylphenyl)methyl]oxamide (CID 126814513) is N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-methyl-N'-[(3-methylphenyl)methyl]oxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-methyl-N'-[(3-methylphenyl)methyl]oxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-methyl-N'-[(3-methylphenyl)methyl]oxamide is COCCn1ccc(NC(=O)C(=O)N(C)Cc2cccc(C)c2)n1.
What is the InChIKey of N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-methyl-N'-[(3-methylphenyl)methyl]oxamide?
The InChIKey is GUPXGUFRXAWQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-13-5-4-6-14(11-13)12-20(2)17(23)16(22)18-15-7-8-21(19-15)9-10-24-3/h4-8,11H,9-10,12H2,1-3H3,(H,18,19,22).
What are the key properties of N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-methyl-N'-[(3-methylphenyl)methyl]oxamide?
N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-methyl-N'-[(3-methylphenyl)methyl]oxamide has a molecular weight of 330.39 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-methyl-N'-[(3-methylphenyl)methyl]oxamide is sourced from PubChem (CID 126814513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).