2-(oxan-4-yl)pyrazol-3-amine

C8H13N3O — CID 43608662

IUPAC2-(oxan-4-yl)pyrazol-3-amine
SMILESNc1ccnn1C1CCOCC1
InChIInChI=1S/C8H13N3O/c9-8-1-4-10-11(8)7-2-5-12-6-3-7/h1,4,7H,2-3,5-6,9H2
InChIKeyIUFRCHDUNSOXBW-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.82
Rot. Bonds1

About 2-(oxan-4-yl)pyrazol-3-amine

2-(oxan-4-yl)pyrazol-3-amine (PubChem CID 43608662) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(oxan-4-yl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(oxan-4-yl)pyrazol-3-amine
PubChem CID43608662
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(oxan-4-yl)pyrazol-3-amine
SMILESNc1ccnn1C1CCOCC1
InChIInChI=1S/C8H13N3O/c9-8-1-4-10-11(8)7-2-5-12-6-3-7/h1,4,7H,2-3,5-6,9H2
InChIKeyIUFRCHDUNSOXBW-UHFFFAOYSA-N
XLogP0.82
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)pyrazol-3-amine?
The IUPAC name of 2-(oxan-4-yl)pyrazol-3-amine (CID 43608662) is 2-(oxan-4-yl)pyrazol-3-amine.
What is the SMILES notation for 2-(oxan-4-yl)pyrazol-3-amine?
The canonical SMILES for 2-(oxan-4-yl)pyrazol-3-amine is Nc1ccnn1C1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)pyrazol-3-amine?
The InChIKey is IUFRCHDUNSOXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-8-1-4-10-11(8)7-2-5-12-6-3-7/h1,4,7H,2-3,5-6,9H2.
What are the key properties of 2-(oxan-4-yl)pyrazol-3-amine?
2-(oxan-4-yl)pyrazol-3-amine has a molecular weight of 167.21 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)pyrazol-3-amine is sourced from PubChem (CID 43608662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).