3-(4-ethyl-3,5-dimethylpyrazol-1-yl)oxan-4-amine

C12H21N3O — CID 61236675

IUPAC3-(4-ethyl-3,5-dimethylpyrazol-1-yl)oxan-4-amine
SMILESCCc1c(C)nn(C2COCCC2N)c1C
InChIInChI=1S/C12H21N3O/c1-4-10-8(2)14-15(9(10)3)12-7-16-6-5-11(12)13/h11-12H,4-7,13H2,1-3H3
InChIKeyAOCGZSJYXFTCBT-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.35
Rot. Bonds2

About 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)oxan-4-amine

3-(4-ethyl-3,5-dimethylpyrazol-1-yl)oxan-4-amine (PubChem CID 61236675) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)oxan-4-amine.

Molecular Properties

Compound Name3-(4-ethyl-3,5-dimethylpyrazol-1-yl)oxan-4-amine
PubChem CID61236675
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-(4-ethyl-3,5-dimethylpyrazol-1-yl)oxan-4-amine
SMILESCCc1c(C)nn(C2COCCC2N)c1C
InChIInChI=1S/C12H21N3O/c1-4-10-8(2)14-15(9(10)3)12-7-16-6-5-11(12)13/h11-12H,4-7,13H2,1-3H3
InChIKeyAOCGZSJYXFTCBT-UHFFFAOYSA-N
XLogP1.35
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)oxan-4-amine?
The IUPAC name of 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)oxan-4-amine (CID 61236675) is 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)oxan-4-amine.
What is the SMILES notation for 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)oxan-4-amine?
The canonical SMILES for 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)oxan-4-amine is CCc1c(C)nn(C2COCCC2N)c1C.
What is the InChIKey of 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)oxan-4-amine?
The InChIKey is AOCGZSJYXFTCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-10-8(2)14-15(9(10)3)12-7-16-6-5-11(12)13/h11-12H,4-7,13H2,1-3H3.
What are the key properties of 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)oxan-4-amine?
3-(4-ethyl-3,5-dimethylpyrazol-1-yl)oxan-4-amine has a molecular weight of 223.32 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)oxan-4-amine is sourced from PubChem (CID 61236675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).