2-[1-(oxan-4-yl)pyrazol-4-yl]ethanamine

C10H17N3O — CID 63937711

IUPAC2-[1-(oxan-4-yl)pyrazol-4-yl]ethanamine
SMILESNCCc1cnn(C2CCOCC2)c1
InChIInChI=1S/C10H17N3O/c11-4-1-9-7-12-13(8-9)10-2-5-14-6-3-10/h7-8,10H,1-6,11H2
InChIKeyJAWNWRRJEPQQMJ-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.74
Rot. Bonds3

About 2-[1-(oxan-4-yl)pyrazol-4-yl]ethanamine

2-[1-(oxan-4-yl)pyrazol-4-yl]ethanamine (PubChem CID 63937711) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-[1-(oxan-4-yl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(oxan-4-yl)pyrazol-4-yl]ethanamine
PubChem CID63937711
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-[1-(oxan-4-yl)pyrazol-4-yl]ethanamine
SMILESNCCc1cnn(C2CCOCC2)c1
InChIInChI=1S/C10H17N3O/c11-4-1-9-7-12-13(8-9)10-2-5-14-6-3-10/h7-8,10H,1-6,11H2
InChIKeyJAWNWRRJEPQQMJ-UHFFFAOYSA-N
XLogP0.74
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-4-yl)pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(oxan-4-yl)pyrazol-4-yl]ethanamine (CID 63937711) is 2-[1-(oxan-4-yl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(oxan-4-yl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(oxan-4-yl)pyrazol-4-yl]ethanamine is NCCc1cnn(C2CCOCC2)c1.
What is the InChIKey of 2-[1-(oxan-4-yl)pyrazol-4-yl]ethanamine?
The InChIKey is JAWNWRRJEPQQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c11-4-1-9-7-12-13(8-9)10-2-5-14-6-3-10/h7-8,10H,1-6,11H2.
What are the key properties of 2-[1-(oxan-4-yl)pyrazol-4-yl]ethanamine?
2-[1-(oxan-4-yl)pyrazol-4-yl]ethanamine has a molecular weight of 195.27 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-4-yl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 63937711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).