2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide

C12H20N4O2 — CID 114096057

IUPAC2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCC1OCCC1(C)NC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C12H20N4O2/c1-8-12(2,4-5-18-8)15-11(17)10(13)9-6-14-16(3)7-9/h6-8,10H,4-5,13H2,1-3H3,(H,15,17)
InChIKeyLMJAYKMSCOGHBR-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.10
Rot. Bonds3

About 2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 114096057) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID114096057
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCC1OCCC1(C)NC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C12H20N4O2/c1-8-12(2,4-5-18-8)15-11(17)10(13)9-6-14-16(3)7-9/h6-8,10H,4-5,13H2,1-3H3,(H,15,17)
InChIKeyLMJAYKMSCOGHBR-UHFFFAOYSA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide (CID 114096057) is 2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide is CC1OCCC1(C)NC(=O)C(N)c1cnn(C)c1.
What is the InChIKey of 2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is LMJAYKMSCOGHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-12(2,4-5-18-8)15-11(17)10(13)9-6-14-16(3)7-9/h6-8,10H,4-5,13H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 114096057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).