N'-(2,6-dimethylphenyl)-N'-(pyrazol-1-ylmethyl)oxamide

C14H16N4O2 — CID 146170629

IUPACN'-(2,6-dimethylphenyl)-N'-(pyrazol-1-ylmethyl)oxamide
SMILESCc1cccc(C)c1N(Cn1cccn1)C(=O)C(N)=O
InChIInChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)
InChIKeyKKGLWAGKUHWHHE-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.98
Rot. Bonds3

About N'-(2,6-dimethylphenyl)-N'-(pyrazol-1-ylmethyl)oxamide

N'-(2,6-dimethylphenyl)-N'-(pyrazol-1-ylmethyl)oxamide (PubChem CID 146170629) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N'-(2,6-dimethylphenyl)-N'-(pyrazol-1-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2,6-dimethylphenyl)-N'-(pyrazol-1-ylmethyl)oxamide
PubChem CID146170629
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN'-(2,6-dimethylphenyl)-N'-(pyrazol-1-ylmethyl)oxamide
SMILESCc1cccc(C)c1N(Cn1cccn1)C(=O)C(N)=O
InChIInChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)
InChIKeyKKGLWAGKUHWHHE-UHFFFAOYSA-N
XLogP0.98
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-(2,6-dimethylphenyl)-N'-(pyrazol-1-ylmethyl)oxamide?
The IUPAC name of N'-(2,6-dimethylphenyl)-N'-(pyrazol-1-ylmethyl)oxamide (CID 146170629) is N'-(2,6-dimethylphenyl)-N'-(pyrazol-1-ylmethyl)oxamide.
What is the SMILES notation for N'-(2,6-dimethylphenyl)-N'-(pyrazol-1-ylmethyl)oxamide?
The canonical SMILES for N'-(2,6-dimethylphenyl)-N'-(pyrazol-1-ylmethyl)oxamide is Cc1cccc(C)c1N(Cn1cccn1)C(=O)C(N)=O.
What is the InChIKey of N'-(2,6-dimethylphenyl)-N'-(pyrazol-1-ylmethyl)oxamide?
The InChIKey is KKGLWAGKUHWHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19).
What are the key properties of N'-(2,6-dimethylphenyl)-N'-(pyrazol-1-ylmethyl)oxamide?
N'-(2,6-dimethylphenyl)-N'-(pyrazol-1-ylmethyl)oxamide has a molecular weight of 272.31 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimethylphenyl)-N'-(pyrazol-1-ylmethyl)oxamide is sourced from PubChem (CID 146170629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).