N-(oxan-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

C14H23N3O2 — CID 110226048

IUPACN-(oxan-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)NC2CCCOC2)c(C)c1C
InChIInChI=1S/C14H23N3O2/c1-10-11(2)16-17(12(10)3)7-6-14(18)15-13-5-4-8-19-9-13/h13H,4-9H2,1-3H3,(H,15,18)
InChIKeyZBVZKJCEOQEROF-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.49
Rot. Bonds4

About N-(oxan-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

N-(oxan-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (PubChem CID 110226048) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(oxan-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(oxan-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
PubChem CID110226048
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(oxan-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)NC2CCCOC2)c(C)c1C
InChIInChI=1S/C14H23N3O2/c1-10-11(2)16-17(12(10)3)7-6-14(18)15-13-5-4-8-19-9-13/h13H,4-9H2,1-3H3,(H,15,18)
InChIKeyZBVZKJCEOQEROF-UHFFFAOYSA-N
XLogP1.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(oxan-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide 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 N-(oxan-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-(oxan-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (CID 110226048) is N-(oxan-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(oxan-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(oxan-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is Cc1nn(CCC(=O)NC2CCCOC2)c(C)c1C.
What is the InChIKey of N-(oxan-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The InChIKey is ZBVZKJCEOQEROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-11(2)16-17(12(10)3)7-6-14(18)15-13-5-4-8-19-9-13/h13H,4-9H2,1-3H3,(H,15,18).
What are the key properties of N-(oxan-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
N-(oxan-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide has a molecular weight of 265.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 110226048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).