3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(oxan-4-yl)butanamide

C16H25N3O3 — CID 118795493

IUPAC3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(oxan-4-yl)butanamide
SMILESCC(=O)c1c(C)nn(C(C)CC(=O)NC2CCOCC2)c1C
InChIInChI=1S/C16H25N3O3/c1-10(9-15(21)17-14-5-7-22-8-6-14)19-12(3)16(13(4)20)11(2)18-19/h10,14H,5-9H2,1-4H3,(H,17,21)
InChIKeyFOBPNVIQSASWQV-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.95
Rot. Bonds5

About 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(oxan-4-yl)butanamide

3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(oxan-4-yl)butanamide (PubChem CID 118795493) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(oxan-4-yl)butanamide.

Molecular Properties

Compound Name3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(oxan-4-yl)butanamide
PubChem CID118795493
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(oxan-4-yl)butanamide
SMILESCC(=O)c1c(C)nn(C(C)CC(=O)NC2CCOCC2)c1C
InChIInChI=1S/C16H25N3O3/c1-10(9-15(21)17-14-5-7-22-8-6-14)19-12(3)16(13(4)20)11(2)18-19/h10,14H,5-9H2,1-4H3,(H,17,21)
InChIKeyFOBPNVIQSASWQV-UHFFFAOYSA-N
XLogP1.95
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(oxan-4-yl)butanamide?
The IUPAC name of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(oxan-4-yl)butanamide (CID 118795493) is 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(oxan-4-yl)butanamide.
What is the SMILES notation for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(oxan-4-yl)butanamide?
The canonical SMILES for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(oxan-4-yl)butanamide is CC(=O)c1c(C)nn(C(C)CC(=O)NC2CCOCC2)c1C.
What is the InChIKey of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(oxan-4-yl)butanamide?
The InChIKey is FOBPNVIQSASWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-10(9-15(21)17-14-5-7-22-8-6-14)19-12(3)16(13(4)20)11(2)18-19/h10,14H,5-9H2,1-4H3,(H,17,21).
What are the key properties of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(oxan-4-yl)butanamide?
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(oxan-4-yl)butanamide has a molecular weight of 307.39 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(oxan-4-yl)butanamide is sourced from PubChem (CID 118795493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).