N'-(1-ethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]oxamide

C15H18N4O3 — CID 71857097

IUPACN'-(1-ethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCCn1cc(NC(=O)C(=O)NCc2ccc(OC)cc2)cn1
InChIInChI=1S/C15H18N4O3/c1-3-19-10-12(9-17-19)18-15(21)14(20)16-8-11-4-6-13(22-2)7-5-11/h4-7,9-10H,3,8H2,1-2H3,(H,16,20)(H,18,21)
InChIKeyAIQDKUJIKZEUGO-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.17
Rot. Bonds5

About N'-(1-ethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]oxamide

N'-(1-ethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]oxamide (PubChem CID 71857097) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N'-(1-ethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(1-ethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]oxamide
PubChem CID71857097
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN'-(1-ethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCCn1cc(NC(=O)C(=O)NCc2ccc(OC)cc2)cn1
InChIInChI=1S/C15H18N4O3/c1-3-19-10-12(9-17-19)18-15(21)14(20)16-8-11-4-6-13(22-2)7-5-11/h4-7,9-10H,3,8H2,1-2H3,(H,16,20)(H,18,21)
InChIKeyAIQDKUJIKZEUGO-UHFFFAOYSA-N
XLogP1.17
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.17
H-Bond Donors ≤ 52
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-ethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-(1-ethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]oxamide (CID 71857097) is N'-(1-ethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-(1-ethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-(1-ethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]oxamide is CCn1cc(NC(=O)C(=O)NCc2ccc(OC)cc2)cn1.
What is the InChIKey of N'-(1-ethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]oxamide?
The InChIKey is AIQDKUJIKZEUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-3-19-10-12(9-17-19)18-15(21)14(20)16-8-11-4-6-13(22-2)7-5-11/h4-7,9-10H,3,8H2,1-2H3,(H,16,20)(H,18,21).
What are the key properties of N'-(1-ethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]oxamide?
N'-(1-ethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]oxamide has a molecular weight of 302.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-ethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 71857097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).