3-methyl-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide

C11H17N3O2 — CID 176873224

IUPAC3-methyl-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide
SMILESCC(C)CC(=O)Nc1ccnn1C1COC1
InChIInChI=1S/C11H17N3O2/c1-8(2)5-11(15)13-10-3-4-12-14(10)9-6-16-7-9/h3-4,8-9H,5-7H2,1-2H3,(H,13,15)
InChIKeyBMVNUCPQEWZUEU-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.44
Rot. Bonds4

About 3-methyl-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide

3-methyl-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide (PubChem CID 176873224) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-methyl-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide
PubChem CID176873224
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-methyl-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide
SMILESCC(C)CC(=O)Nc1ccnn1C1COC1
InChIInChI=1S/C11H17N3O2/c1-8(2)5-11(15)13-10-3-4-12-14(10)9-6-16-7-9/h3-4,8-9H,5-7H2,1-2H3,(H,13,15)
InChIKeyBMVNUCPQEWZUEU-UHFFFAOYSA-N
XLogP1.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide 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 3-methyl-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide?
The IUPAC name of 3-methyl-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide (CID 176873224) is 3-methyl-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide?
The canonical SMILES for 3-methyl-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide is CC(C)CC(=O)Nc1ccnn1C1COC1.
What is the InChIKey of 3-methyl-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide?
The InChIKey is BMVNUCPQEWZUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(2)5-11(15)13-10-3-4-12-14(10)9-6-16-7-9/h3-4,8-9H,5-7H2,1-2H3,(H,13,15).
What are the key properties of 3-methyl-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide?
3-methyl-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide has a molecular weight of 223.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide is sourced from PubChem (CID 176873224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).