2-amino-N-(2,5-dimethylpyrazol-3-yl)-2-(oxan-4-yl)acetamide

C12H20N4O2 — CID 120783566

IUPAC2-amino-N-(2,5-dimethylpyrazol-3-yl)-2-(oxan-4-yl)acetamide
SMILESCc1cc(NC(=O)C(N)C2CCOCC2)n(C)n1
InChIInChI=1S/C12H20N4O2/c1-8-7-10(16(2)15-8)14-12(17)11(13)9-3-5-18-6-4-9/h7,9,11H,3-6,13H2,1-2H3,(H,14,17)
InChIKeyVXCVIZCHEIHQBW-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.42
Rot. Bonds3

About 2-amino-N-(2,5-dimethylpyrazol-3-yl)-2-(oxan-4-yl)acetamide

2-amino-N-(2,5-dimethylpyrazol-3-yl)-2-(oxan-4-yl)acetamide (PubChem CID 120783566) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-amino-N-(2,5-dimethylpyrazol-3-yl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2,5-dimethylpyrazol-3-yl)-2-(oxan-4-yl)acetamide
PubChem CID120783566
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-amino-N-(2,5-dimethylpyrazol-3-yl)-2-(oxan-4-yl)acetamide
SMILESCc1cc(NC(=O)C(N)C2CCOCC2)n(C)n1
InChIInChI=1S/C12H20N4O2/c1-8-7-10(16(2)15-8)14-12(17)11(13)9-3-5-18-6-4-9/h7,9,11H,3-6,13H2,1-2H3,(H,14,17)
InChIKeyVXCVIZCHEIHQBW-UHFFFAOYSA-N
XLogP0.42
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,5-dimethylpyrazol-3-yl)-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-(2,5-dimethylpyrazol-3-yl)-2-(oxan-4-yl)acetamide (CID 120783566) is 2-amino-N-(2,5-dimethylpyrazol-3-yl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(2,5-dimethylpyrazol-3-yl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(2,5-dimethylpyrazol-3-yl)-2-(oxan-4-yl)acetamide is Cc1cc(NC(=O)C(N)C2CCOCC2)n(C)n1.
What is the InChIKey of 2-amino-N-(2,5-dimethylpyrazol-3-yl)-2-(oxan-4-yl)acetamide?
The InChIKey is VXCVIZCHEIHQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-7-10(16(2)15-8)14-12(17)11(13)9-3-5-18-6-4-9/h7,9,11H,3-6,13H2,1-2H3,(H,14,17).
What are the key properties of 2-amino-N-(2,5-dimethylpyrazol-3-yl)-2-(oxan-4-yl)acetamide?
2-amino-N-(2,5-dimethylpyrazol-3-yl)-2-(oxan-4-yl)acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,5-dimethylpyrazol-3-yl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120783566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).