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

C8H13N3O — CID 63937838

IUPAC1-(oxan-4-yl)pyrazol-3-amine
SMILESNc1ccn(C2CCOCC2)n1
InChIInChI=1S/C8H13N3O/c9-8-1-4-11(10-8)7-2-5-12-6-3-7/h1,4,7H,2-3,5-6H2,(H2,9,10)
InChIKeySINGMNYTTDSEPO-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.82
Rot. Bonds1

About 1-(oxan-4-yl)pyrazol-3-amine

1-(oxan-4-yl)pyrazol-3-amine (PubChem CID 63937838) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(oxan-4-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(oxan-4-yl)pyrazol-3-amine
PubChem CID63937838
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(oxan-4-yl)pyrazol-3-amine
SMILESNc1ccn(C2CCOCC2)n1
InChIInChI=1S/C8H13N3O/c9-8-1-4-11(10-8)7-2-5-12-6-3-7/h1,4,7H,2-3,5-6H2,(H2,9,10)
InChIKeySINGMNYTTDSEPO-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

Analyze 1-(oxan-4-yl)pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)pyrazol-3-amine?
The IUPAC name of 1-(oxan-4-yl)pyrazol-3-amine (CID 63937838) is 1-(oxan-4-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(oxan-4-yl)pyrazol-3-amine?
The canonical SMILES for 1-(oxan-4-yl)pyrazol-3-amine is Nc1ccn(C2CCOCC2)n1.
What is the InChIKey of 1-(oxan-4-yl)pyrazol-3-amine?
The InChIKey is SINGMNYTTDSEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-8-1-4-11(10-8)7-2-5-12-6-3-7/h1,4,7H,2-3,5-6H2,(H2,9,10).
What are the key properties of 1-(oxan-4-yl)pyrazol-3-amine?
1-(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 1-(oxan-4-yl)pyrazol-3-amine is sourced from PubChem (CID 63937838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).