2-(2,2-dimethyloxan-4-yl)-5-methylpyrazol-3-amine

C11H19N3O — CID 2938587

IUPAC2-(2,2-dimethyloxan-4-yl)-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(C2CCOC(C)(C)C2)n1
InChIInChI=1S/C11H19N3O/c1-8-6-10(12)14(13-8)9-4-5-15-11(2,3)7-9/h6,9H,4-5,7,12H2,1-3H3
InChIKeyXZDYLPLVKWXNBY-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.90
Rot. Bonds1

About 2-(2,2-dimethyloxan-4-yl)-5-methylpyrazol-3-amine

2-(2,2-dimethyloxan-4-yl)-5-methylpyrazol-3-amine (PubChem CID 2938587) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(2,2-dimethyloxan-4-yl)-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-(2,2-dimethyloxan-4-yl)-5-methylpyrazol-3-amine
PubChem CID2938587
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(2,2-dimethyloxan-4-yl)-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(C2CCOC(C)(C)C2)n1
InChIInChI=1S/C11H19N3O/c1-8-6-10(12)14(13-8)9-4-5-15-11(2,3)7-9/h6,9H,4-5,7,12H2,1-3H3
InChIKeyXZDYLPLVKWXNBY-UHFFFAOYSA-N
XLogP1.90
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyloxan-4-yl)-5-methylpyrazol-3-amine?
The IUPAC name of 2-(2,2-dimethyloxan-4-yl)-5-methylpyrazol-3-amine (CID 2938587) is 2-(2,2-dimethyloxan-4-yl)-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-(2,2-dimethyloxan-4-yl)-5-methylpyrazol-3-amine?
The canonical SMILES for 2-(2,2-dimethyloxan-4-yl)-5-methylpyrazol-3-amine is Cc1cc(N)n(C2CCOC(C)(C)C2)n1.
What is the InChIKey of 2-(2,2-dimethyloxan-4-yl)-5-methylpyrazol-3-amine?
The InChIKey is XZDYLPLVKWXNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-6-10(12)14(13-8)9-4-5-15-11(2,3)7-9/h6,9H,4-5,7,12H2,1-3H3.
What are the key properties of 2-(2,2-dimethyloxan-4-yl)-5-methylpyrazol-3-amine?
2-(2,2-dimethyloxan-4-yl)-5-methylpyrazol-3-amine has a molecular weight of 209.29 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyloxan-4-yl)-5-methylpyrazol-3-amine is sourced from PubChem (CID 2938587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).