[2-methyl-1-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1-oxopropan-2-yl] acetate

C14H21N3O4 — CID 71810260

IUPAC[2-methyl-1-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1-oxopropan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C(=O)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C14H21N3O4/c1-10(18)21-14(2,3)13(19)16-11-8-15-17(9-11)12-4-6-20-7-5-12/h8-9,12H,4-7H2,1-3H3,(H,16,19)
InChIKeyUPXIKDKRPDJRNK-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.51
Rot. Bonds4

About [2-methyl-1-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1-oxopropan-2-yl] acetate

[2-methyl-1-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1-oxopropan-2-yl] acetate (PubChem CID 71810260) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is [2-methyl-1-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1-oxopropan-2-yl] acetate.

Molecular Properties

Compound Name[2-methyl-1-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1-oxopropan-2-yl] acetate
PubChem CID71810260
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name[2-methyl-1-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1-oxopropan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C(=O)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C14H21N3O4/c1-10(18)21-14(2,3)13(19)16-11-8-15-17(9-11)12-4-6-20-7-5-12/h8-9,12H,4-7H2,1-3H3,(H,16,19)
InChIKeyUPXIKDKRPDJRNK-UHFFFAOYSA-N
XLogP1.51
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-methyl-1-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1-oxopropan-2-yl] acetate 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 [2-methyl-1-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1-oxopropan-2-yl] acetate?
The IUPAC name of [2-methyl-1-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1-oxopropan-2-yl] acetate (CID 71810260) is [2-methyl-1-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1-oxopropan-2-yl] acetate.
What is the SMILES notation for [2-methyl-1-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1-oxopropan-2-yl] acetate?
The canonical SMILES for [2-methyl-1-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1-oxopropan-2-yl] acetate is CC(=O)OC(C)(C)C(=O)Nc1cnn(C2CCOCC2)c1.
What is the InChIKey of [2-methyl-1-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1-oxopropan-2-yl] acetate?
The InChIKey is UPXIKDKRPDJRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-10(18)21-14(2,3)13(19)16-11-8-15-17(9-11)12-4-6-20-7-5-12/h8-9,12H,4-7H2,1-3H3,(H,16,19).
What are the key properties of [2-methyl-1-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1-oxopropan-2-yl] acetate?
[2-methyl-1-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1-oxopropan-2-yl] acetate has a molecular weight of 295.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1-oxopropan-2-yl] acetate is sourced from PubChem (CID 71810260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).