3-ethyl-1-methyl-N-(oxan-3-yl)pyrazol-5-amine

C11H19N3O — CID 115927871

IUPAC3-ethyl-1-methyl-N-(oxan-3-yl)pyrazol-5-amine
SMILESCCc1cc(NC2CCCOC2)n(C)n1
InChIInChI=1S/C11H19N3O/c1-3-9-7-11(14(2)13-9)12-10-5-4-6-15-8-10/h7,10,12H,3-6,8H2,1-2H3
InChIKeyFXYGVTIBSHBKPH-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.57
Rot. Bonds3

About 3-ethyl-1-methyl-N-(oxan-3-yl)pyrazol-5-amine

3-ethyl-1-methyl-N-(oxan-3-yl)pyrazol-5-amine (PubChem CID 115927871) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-(oxan-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-(oxan-3-yl)pyrazol-5-amine
PubChem CID115927871
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-ethyl-1-methyl-N-(oxan-3-yl)pyrazol-5-amine
SMILESCCc1cc(NC2CCCOC2)n(C)n1
InChIInChI=1S/C11H19N3O/c1-3-9-7-11(14(2)13-9)12-10-5-4-6-15-8-10/h7,10,12H,3-6,8H2,1-2H3
InChIKeyFXYGVTIBSHBKPH-UHFFFAOYSA-N
XLogP1.57
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-N-(oxan-3-yl)-3-propylpyrazole-4,5-diamine
CID 66017732
1,5-dimethyl-N-(oxan-3-yl)pyrazol-4-amine
CID 115923293
7-methyl-N-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 63363423
1-(3-ethyl-1-methylpyrazol-5-yl)-3-[1-(oxan-4-yl)ethyl]urea
CID 138043768
N-(3-ethyl-1-methylpyrazol-5-yl)-3-hydroxypiperidine-1-carboxamide
CID 111422829
2-(oxan-3-ylamino)-6-propylpyridine-4-carboxylic acid
CID 113380266
N-[(2,5-dimethylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine
CID 107138704
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(oxolan-3-yl)ethanamine
CID 114130531
3-methyl-N-[(3S)-oxan-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95244110
3-ethyl-1-(oxan-3-ylmethyl)-5-(trifluoromethyl)pyrazole
CID 157042333
N-[1-(1-methylimidazol-2-yl)propyl]oxan-3-amine
CID 115900976
2-N-ethyl-5-methyl-4-N-(oxan-3-yl)pyrimidine-2,4-diamine
CID 80830256

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-(oxan-3-yl)pyrazol-5-amine?
The IUPAC name of 3-ethyl-1-methyl-N-(oxan-3-yl)pyrazol-5-amine (CID 115927871) is 3-ethyl-1-methyl-N-(oxan-3-yl)pyrazol-5-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-(oxan-3-yl)pyrazol-5-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-(oxan-3-yl)pyrazol-5-amine is CCc1cc(NC2CCCOC2)n(C)n1.
What is the InChIKey of 3-ethyl-1-methyl-N-(oxan-3-yl)pyrazol-5-amine?
The InChIKey is FXYGVTIBSHBKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-9-7-11(14(2)13-9)12-10-5-4-6-15-8-10/h7,10,12H,3-6,8H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-N-(oxan-3-yl)pyrazol-5-amine?
3-ethyl-1-methyl-N-(oxan-3-yl)pyrazol-5-amine has a molecular weight of 209.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-(oxan-3-yl)pyrazol-5-amine is sourced from PubChem (CID 115927871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).