1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine

C₁₃H₂₃N₃O — CID 63937696

About 1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine

1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine (PubChem CID 63937696) has the molecular formula C₁₃H₂₃N₃O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine.

Molecular Properties

• Compound Name: 1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine
• PubChem CID: 63937696
• Molecular Formula: C₁₃H₂₃N₃O
• Molecular Weight: 237.35 g/mol
• Exact Mass: 237.18
• IUPAC Name: 1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine
• SMILES: CCC(N)c1c(C)nn(C2CCOCC2)c1C
• InChI: InChI=1S/C13H23N3O/c1-4-12(14)13-9(2)15-16(10(13)3)11-5-7-17-8-6-11/h11-12H,4-8,14H2,1-3H3
• InChIKey: PNUCVVFDGYAMGJ-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 53.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	237.35
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine?

The IUPAC name of 1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine (CID 63937696) is 1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine.

What is the SMILES notation for 1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine?

The canonical SMILES for 1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine is CCC(N)c1c(C)nn(C2CCOCC2)c1C.

What is the InChIKey of 1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine?

The InChIKey is PNUCVVFDGYAMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-12(14)13-9(2)15-16(10(13)3)11-5-7-17-8-6-11/h11-12H,4-8,14H2,1-3H3.

What are the key properties of 1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine?

1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 63937696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63937696 — identifiers, structure, computed properties (public domain)

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