N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(2,4,6-trimethylphenyl)oxamide

C20H22N4O3 — CID 122266237

IUPACN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)NCC(c2ccco2)n2cccn2)c(C)c1
InChIInChI=1S/C20H22N4O3/c1-13-10-14(2)18(15(3)11-13)23-20(26)19(25)21-12-16(17-6-4-9-27-17)24-8-5-7-22-24/h4-11,16H,12H2,1-3H3,(H,21,25)(H,23,26)
InChIKeyHUCUSJUBCCBAMQ-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.75
Rot. Bonds5

About N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(2,4,6-trimethylphenyl)oxamide

N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(2,4,6-trimethylphenyl)oxamide (PubChem CID 122266237) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(2,4,6-trimethylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(2,4,6-trimethylphenyl)oxamide
PubChem CID122266237
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)NCC(c2ccco2)n2cccn2)c(C)c1
InChIInChI=1S/C20H22N4O3/c1-13-10-14(2)18(15(3)11-13)23-20(26)19(25)21-12-16(17-6-4-9-27-17)24-8-5-7-22-24/h4-11,16H,12H2,1-3H3,(H,21,25)(H,23,26)
InChIKeyHUCUSJUBCCBAMQ-UHFFFAOYSA-N
XLogP2.75
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(4-methylphenyl)oxamide
CID 122266215
N-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide
CID 122266212
N'-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide
CID 119102102
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 122266273
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide
CID 122265939
2-ethoxy-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]acetamide
CID 122265940
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-2,2-diphenylacetamide
CID 122266052
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxane-4-carboxamide
CID 121019365
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclopentanecarboxamide
CID 122265941
2,6-difluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide
CID 122265973
1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-(2-methoxyphenyl)urea
CID 122266298
3-(dimethylamino)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide
CID 122265981

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(2,4,6-trimethylphenyl)oxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(2,4,6-trimethylphenyl)oxamide (CID 122266237) is N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(2,4,6-trimethylphenyl)oxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(2,4,6-trimethylphenyl)oxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(2,4,6-trimethylphenyl)oxamide is Cc1cc(C)c(NC(=O)C(=O)NCC(c2ccco2)n2cccn2)c(C)c1.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(2,4,6-trimethylphenyl)oxamide?
The InChIKey is HUCUSJUBCCBAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-10-14(2)18(15(3)11-13)23-20(26)19(25)21-12-16(17-6-4-9-27-17)24-8-5-7-22-24/h4-11,16H,12H2,1-3H3,(H,21,25)(H,23,26).
What are the key properties of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(2,4,6-trimethylphenyl)oxamide?
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(2,4,6-trimethylphenyl)oxamide has a molecular weight of 366.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(2,4,6-trimethylphenyl)oxamide is sourced from PubChem (CID 122266237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).