2-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine

C11H19N3O — CID 79927043

IUPAC2-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine
SMILESCC1(C)CC(n2nccc2N)C(C)(C)O1
InChIInChI=1S/C11H19N3O/c1-10(2)7-8(11(3,4)15-10)14-9(12)5-6-13-14/h5-6,8H,7,12H2,1-4H3
InChIKeyZRTIRFIPMHFYAJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.98
Rot. Bonds1

About 2-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine

2-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine (PubChem CID 79927043) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine
PubChem CID79927043
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine
SMILESCC1(C)CC(n2nccc2N)C(C)(C)O1
InChIInChI=1S/C11H19N3O/c1-10(2)7-8(11(3,4)15-10)14-9(12)5-6-13-14/h5-6,8H,7,12H2,1-4H3
InChIKeyZRTIRFIPMHFYAJ-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine?
The IUPAC name of 2-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine (CID 79927043) is 2-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine.
What is the SMILES notation for 2-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine?
The canonical SMILES for 2-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine is CC1(C)CC(n2nccc2N)C(C)(C)O1.
What is the InChIKey of 2-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine?
The InChIKey is ZRTIRFIPMHFYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10(2)7-8(11(3,4)15-10)14-9(12)5-6-13-14/h5-6,8H,7,12H2,1-4H3.
What are the key properties of 2-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine?
2-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine has a molecular weight of 209.29 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine is sourced from PubChem (CID 79927043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).