N-(2,5-dimethylpyrazol-3-yl)-N'-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]oxamide

C16H24N6O2 — CID 75391160

IUPACN-(2,5-dimethylpyrazol-3-yl)-N'-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2cnn(CCC(C)C)c2C)n(C)n1
InChIInChI=1S/C16H24N6O2/c1-10(2)6-7-22-12(4)13(9-17-22)18-15(23)16(24)19-14-8-11(3)20-21(14)5/h8-10H,6-7H2,1-5H3,(H,18,23)(H,19,24)
InChIKeyGJBYLZYLEVQXSP-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.86
Rot. Bonds5

About N-(2,5-dimethylpyrazol-3-yl)-N'-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]oxamide

N-(2,5-dimethylpyrazol-3-yl)-N'-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]oxamide (PubChem CID 75391160) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-N'-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]oxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-N'-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]oxamide
PubChem CID75391160
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-N'-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2cnn(CCC(C)C)c2C)n(C)n1
InChIInChI=1S/C16H24N6O2/c1-10(2)6-7-22-12(4)13(9-17-22)18-15(23)16(24)19-14-8-11(3)20-21(14)5/h8-10H,6-7H2,1-5H3,(H,18,23)(H,19,24)
InChIKeyGJBYLZYLEVQXSP-UHFFFAOYSA-N
XLogP1.86
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2,5-dimethylpyrazol-3-yl)-N'-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]oxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-N'-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]oxamide (CID 75391160) is N-(2,5-dimethylpyrazol-3-yl)-N'-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]oxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-N'-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]oxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-N'-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]oxamide is Cc1cc(NC(=O)C(=O)Nc2cnn(CCC(C)C)c2C)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-N'-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]oxamide?
The InChIKey is GJBYLZYLEVQXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-10(2)6-7-22-12(4)13(9-17-22)18-15(23)16(24)19-14-8-11(3)20-21(14)5/h8-10H,6-7H2,1-5H3,(H,18,23)(H,19,24).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-N'-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]oxamide?
N-(2,5-dimethylpyrazol-3-yl)-N'-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]oxamide has a molecular weight of 332.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-N'-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]oxamide is sourced from PubChem (CID 75391160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).