2-(3-tert-butyl-1-methylpyrazol-4-yl)oxan-4-amine

C13H23N3O — CID 83094239

IUPAC2-(3-tert-butyl-1-methylpyrazol-4-yl)oxan-4-amine
SMILESCn1cc(C2CC(N)CCO2)c(C(C)(C)C)n1
InChIInChI=1S/C13H23N3O/c1-13(2,3)12-10(8-16(4)15-12)11-7-9(14)5-6-17-11/h8-9,11H,5-7,14H2,1-4H3
InChIKeyOWOLQMXDGBEHIE-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.90
Rot. Bonds1

About 2-(3-tert-butyl-1-methylpyrazol-4-yl)oxan-4-amine

2-(3-tert-butyl-1-methylpyrazol-4-yl)oxan-4-amine (PubChem CID 83094239) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-methylpyrazol-4-yl)oxan-4-amine.

Molecular Properties

Compound Name2-(3-tert-butyl-1-methylpyrazol-4-yl)oxan-4-amine
PubChem CID83094239
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(3-tert-butyl-1-methylpyrazol-4-yl)oxan-4-amine
SMILESCn1cc(C2CC(N)CCO2)c(C(C)(C)C)n1
InChIInChI=1S/C13H23N3O/c1-13(2,3)12-10(8-16(4)15-12)11-7-9(14)5-6-17-11/h8-9,11H,5-7,14H2,1-4H3
InChIKeyOWOLQMXDGBEHIE-UHFFFAOYSA-N
XLogP1.90
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
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-(3-tert-butyl-1-methylpyrazol-4-yl)oxan-4-amine?
The IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)oxan-4-amine (CID 83094239) is 2-(3-tert-butyl-1-methylpyrazol-4-yl)oxan-4-amine.
What is the SMILES notation for 2-(3-tert-butyl-1-methylpyrazol-4-yl)oxan-4-amine?
The canonical SMILES for 2-(3-tert-butyl-1-methylpyrazol-4-yl)oxan-4-amine is Cn1cc(C2CC(N)CCO2)c(C(C)(C)C)n1.
What is the InChIKey of 2-(3-tert-butyl-1-methylpyrazol-4-yl)oxan-4-amine?
The InChIKey is OWOLQMXDGBEHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2,3)12-10(8-16(4)15-12)11-7-9(14)5-6-17-11/h8-9,11H,5-7,14H2,1-4H3.
What are the key properties of 2-(3-tert-butyl-1-methylpyrazol-4-yl)oxan-4-amine?
2-(3-tert-butyl-1-methylpyrazol-4-yl)oxan-4-amine has a molecular weight of 237.35 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-(3-tert-butyl-1-methylpyrazol-4-yl)oxan-4-amine is sourced from PubChem (CID 83094239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).