4-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-2-carboxylic acid

C13H17F2N3O4 — CID 119239534

IUPAC4-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-2-carboxylic acid
SMILESCc1nn(C(F)F)c(C)c1CC(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C13H17F2N3O4/c1-7-9(8(2)18(16-7)13(14)15)5-11(19)17-3-4-22-10(6-17)12(20)21/h10,13H,3-6H2,1-2H3,(H,20,21)
InChIKeyUEGZXDVSGZZMOL-UHFFFAOYSA-N
MW317.29 g/mol
LogP0.75
Rot. Bonds4

About 4-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-2-carboxylic acid

4-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-2-carboxylic acid (PubChem CID 119239534) has the molecular formula C13H17F2N3O4 and a molecular weight of 317.29 g/mol. Its IUPAC name is 4-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-2-carboxylic acid
PubChem CID119239534
Molecular FormulaC13H17F2N3O4
Molecular Weight317.29 g/mol
Exact Mass317.12
IUPAC Name4-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-2-carboxylic acid
SMILESCc1nn(C(F)F)c(C)c1CC(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C13H17F2N3O4/c1-7-9(8(2)18(16-7)13(14)15)5-11(19)17-3-4-22-10(6-17)12(20)21/h10,13H,3-6H2,1-2H3,(H,20,21)
InChIKeyUEGZXDVSGZZMOL-UHFFFAOYSA-N
XLogP0.75
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2-morpholinecarboxylic acid
CID 56906524
1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid
CID 118742510
2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 48650537
3-[[2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]-methylamino]propanoic acid
CID 86779671
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 95143415
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 99604016
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 99604018
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(3-hydroxybutyl)-N-methylacetamide
CID 109902322
2-[3,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 109903086
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxypropyl)-N-methylacetamide
CID 109905330
2-[3,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 109958369
2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 109958536

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-2-carboxylic acid (CID 119239534) is 4-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-2-carboxylic acid is Cc1nn(C(F)F)c(C)c1CC(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-2-carboxylic acid?
The InChIKey is UEGZXDVSGZZMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O4/c1-7-9(8(2)18(16-7)13(14)15)5-11(19)17-3-4-22-10(6-17)12(20)21/h10,13H,3-6H2,1-2H3,(H,20,21).
What are the key properties of 4-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-2-carboxylic acid?
4-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-2-carboxylic acid has a molecular weight of 317.29 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119239534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).