N'-[(2R)-3,3-dimethylbutan-2-yl]-N-(2,5-dimethylpyrazol-3-yl)oxamide

C13H22N4O2 — CID 99598507

IUPACN'-[(2R)-3,3-dimethylbutan-2-yl]-N-(2,5-dimethylpyrazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)N[C@H](C)C(C)(C)C)n(C)n1
InChIInChI=1S/C13H22N4O2/c1-8-7-10(17(6)16-8)15-12(19)11(18)14-9(2)13(3,4)5/h7,9H,1-6H3,(H,14,18)(H,15,19)/t9-/m1/s1
InChIKeyROSOLBJFVOBRMK-SECBINFHSA-N
MW266.34 g/mol
LogP1.22
Rot. Bonds2

About N'-[(2R)-3,3-dimethylbutan-2-yl]-N-(2,5-dimethylpyrazol-3-yl)oxamide

N'-[(2R)-3,3-dimethylbutan-2-yl]-N-(2,5-dimethylpyrazol-3-yl)oxamide (PubChem CID 99598507) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N'-[(2R)-3,3-dimethylbutan-2-yl]-N-(2,5-dimethylpyrazol-3-yl)oxamide.

Molecular Properties

Compound NameN'-[(2R)-3,3-dimethylbutan-2-yl]-N-(2,5-dimethylpyrazol-3-yl)oxamide
PubChem CID99598507
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN'-[(2R)-3,3-dimethylbutan-2-yl]-N-(2,5-dimethylpyrazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)N[C@H](C)C(C)(C)C)n(C)n1
InChIInChI=1S/C13H22N4O2/c1-8-7-10(17(6)16-8)15-12(19)11(18)14-9(2)13(3,4)5/h7,9H,1-6H3,(H,14,18)(H,15,19)/t9-/m1/s1
InChIKeyROSOLBJFVOBRMK-SECBINFHSA-N
XLogP1.22
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
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'-[(2R)-3,3-dimethylbutan-2-yl]-N-(2,5-dimethylpyrazol-3-yl)oxamide?
The IUPAC name of N'-[(2R)-3,3-dimethylbutan-2-yl]-N-(2,5-dimethylpyrazol-3-yl)oxamide (CID 99598507) is N'-[(2R)-3,3-dimethylbutan-2-yl]-N-(2,5-dimethylpyrazol-3-yl)oxamide.
What is the SMILES notation for N'-[(2R)-3,3-dimethylbutan-2-yl]-N-(2,5-dimethylpyrazol-3-yl)oxamide?
The canonical SMILES for N'-[(2R)-3,3-dimethylbutan-2-yl]-N-(2,5-dimethylpyrazol-3-yl)oxamide is Cc1cc(NC(=O)C(=O)N[C@H](C)C(C)(C)C)n(C)n1.
What is the InChIKey of N'-[(2R)-3,3-dimethylbutan-2-yl]-N-(2,5-dimethylpyrazol-3-yl)oxamide?
The InChIKey is ROSOLBJFVOBRMK-SECBINFHSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8-7-10(17(6)16-8)15-12(19)11(18)14-9(2)13(3,4)5/h7,9H,1-6H3,(H,14,18)(H,15,19)/t9-/m1/s1.
What are the key properties of N'-[(2R)-3,3-dimethylbutan-2-yl]-N-(2,5-dimethylpyrazol-3-yl)oxamide?
N'-[(2R)-3,3-dimethylbutan-2-yl]-N-(2,5-dimethylpyrazol-3-yl)oxamide has a molecular weight of 266.34 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-3,3-dimethylbutan-2-yl]-N-(2,5-dimethylpyrazol-3-yl)oxamide is sourced from PubChem (CID 99598507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).