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

C10H17N3O — CID 43608853

IUPAC3-(3,5-dimethylpyrazol-1-yl)oxan-4-amine
SMILESCc1cc(C)n(C2COCCC2N)n1
InChIInChI=1S/C10H17N3O/c1-7-5-8(2)13(12-7)10-6-14-4-3-9(10)11/h5,9-10H,3-4,6,11H2,1-2H3
InChIKeyHGEUAZFUNFISAL-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.79
Rot. Bonds1

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

3-(3,5-dimethylpyrazol-1-yl)oxan-4-amine (PubChem CID 43608853) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)oxan-4-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)oxan-4-amine
PubChem CID43608853
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)oxan-4-amine
SMILESCc1cc(C)n(C2COCCC2N)n1
InChIInChI=1S/C10H17N3O/c1-7-5-8(2)13(12-7)10-6-14-4-3-9(10)11/h5,9-10H,3-4,6,11H2,1-2H3
InChIKeyHGEUAZFUNFISAL-UHFFFAOYSA-N
XLogP0.79
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-amine
CID 16783199
3-(4-ethyl-3,5-dimethylpyrazol-1-yl)oxan-4-amine
CID 61236675
[2-(3,5-dimethylpyrazol-1-yl)cyclopentyl]methanamine
CID 43293800
2-methyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709222
3-methyl-1-(oxan-4-yl)-5-propan-2-ylpyrazole
CID 122630976
3-(2-ethylimidazol-1-yl)oxan-4-amine
CID 61402240
3-(4-phenylpyrazol-1-yl)oxan-4-amine
CID 62772194
5-ethyl-3-methyl-1-(oxan-4-yl)pyrazole
CID 170965692
3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazinane
CID 146559480
3-(4-propan-2-ylpiperidin-1-yl)oxan-4-amine
CID 103495081
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 105147665
3-[[4-(1,5-dimethylpyrazol-3-yl)phenoxy]methyl]oxan-4-amine
CID 70819617

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)oxan-4-amine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)oxan-4-amine (CID 43608853) is 3-(3,5-dimethylpyrazol-1-yl)oxan-4-amine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)oxan-4-amine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)oxan-4-amine is Cc1cc(C)n(C2COCCC2N)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)oxan-4-amine?
The InChIKey is HGEUAZFUNFISAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-5-8(2)13(12-7)10-6-14-4-3-9(10)11/h5,9-10H,3-4,6,11H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)oxan-4-amine?
3-(3,5-dimethylpyrazol-1-yl)oxan-4-amine has a molecular weight of 195.27 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)oxan-4-amine is sourced from PubChem (CID 43608853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).