4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine

C11H19N3O — CID 103007085

IUPAC4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
SMILESCn1cc(CCC2(N)CCOCC2)cn1
InChIInChI=1S/C11H19N3O/c1-14-9-10(8-13-14)2-3-11(12)4-6-15-7-5-11/h8-9H,2-7,12H2,1H3
InChIKeyGEZLVIUNDULPMJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.86
Rot. Bonds3

About 4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine

4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine (PubChem CID 103007085) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine.

Molecular Properties

Compound Name4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
PubChem CID103007085
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
SMILESCn1cc(CCC2(N)CCOCC2)cn1
InChIInChI=1S/C11H19N3O/c1-14-9-10(8-13-14)2-3-11(12)4-6-15-7-5-11/h8-9H,2-7,12H2,1H3
InChIKeyGEZLVIUNDULPMJ-UHFFFAOYSA-N
XLogP0.86
TPSA53.07 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 ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-amine
CID 103007104
3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103007094
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103005734
1-(4-ethoxyoxan-4-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007947
1-[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopropyl]ethanol
CID 106798118
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-amine
CID 103015435
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
3-amino-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006526
1-(1-aminocyclopentyl)-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103023798
[3-[2-(1-methylpyrazol-4-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine
CID 103014754
1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol
CID 103005851
3,3-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006532

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine?
The IUPAC name of 4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine (CID 103007085) is 4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine.
What is the SMILES notation for 4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine?
The canonical SMILES for 4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine is Cn1cc(CCC2(N)CCOCC2)cn1.
What is the InChIKey of 4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine?
The InChIKey is GEZLVIUNDULPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-14-9-10(8-13-14)2-3-11(12)4-6-15-7-5-11/h8-9H,2-7,12H2,1H3.
What are the key properties of 4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine?
4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine has a molecular weight of 209.29 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine is sourced from PubChem (CID 103007085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).