1-[2-(oxan-4-ylmethoxy)ethyl]pyrazol-3-amine

C11H19N3O2 — CID 63316340

IUPAC1-[2-(oxan-4-ylmethoxy)ethyl]pyrazol-3-amine
SMILESNc1ccn(CCOCC2CCOCC2)n1
InChIInChI=1S/C11H19N3O2/c12-11-1-4-14(13-11)5-8-16-9-10-2-6-15-7-3-10/h1,4,10H,2-3,5-9H2,(H2,12,13)
InChIKeyXMYOVZNRMQDMRY-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.91
Rot. Bonds5

About 1-[2-(oxan-4-ylmethoxy)ethyl]pyrazol-3-amine

1-[2-(oxan-4-ylmethoxy)ethyl]pyrazol-3-amine (PubChem CID 63316340) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[2-(oxan-4-ylmethoxy)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(oxan-4-ylmethoxy)ethyl]pyrazol-3-amine
PubChem CID63316340
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[2-(oxan-4-ylmethoxy)ethyl]pyrazol-3-amine
SMILESNc1ccn(CCOCC2CCOCC2)n1
InChIInChI=1S/C11H19N3O2/c12-11-1-4-14(13-11)5-8-16-9-10-2-6-15-7-3-10/h1,4,10H,2-3,5-9H2,(H2,12,13)
InChIKeyXMYOVZNRMQDMRY-UHFFFAOYSA-N
XLogP0.91
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-4-ylmethoxy)ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-(oxan-4-ylmethoxy)ethyl]pyrazol-3-amine (CID 63316340) is 1-[2-(oxan-4-ylmethoxy)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(oxan-4-ylmethoxy)ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(oxan-4-ylmethoxy)ethyl]pyrazol-3-amine is Nc1ccn(CCOCC2CCOCC2)n1.
What is the InChIKey of 1-[2-(oxan-4-ylmethoxy)ethyl]pyrazol-3-amine?
The InChIKey is XMYOVZNRMQDMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c12-11-1-4-14(13-11)5-8-16-9-10-2-6-15-7-3-10/h1,4,10H,2-3,5-9H2,(H2,12,13).
What are the key properties of 1-[2-(oxan-4-ylmethoxy)ethyl]pyrazol-3-amine?
1-[2-(oxan-4-ylmethoxy)ethyl]pyrazol-3-amine has a molecular weight of 225.29 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-4-ylmethoxy)ethyl]pyrazol-3-amine is sourced from PubChem (CID 63316340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).