2-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-1-morpholin-4-ylethanone

C17H20FN3O3 — CID 45488337

IUPAC2-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-1-morpholin-4-ylethanone
SMILESCn1nccc1C(OCC(=O)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O3/c1-20-15(6-7-19-20)17(13-2-4-14(18)5-3-13)24-12-16(22)21-8-10-23-11-9-21/h2-7,17H,8-12H2,1H3
InChIKeyWTKWGMZRDDFJAI-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.52
Rot. Bonds5

About 2-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-1-morpholin-4-ylethanone

2-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-1-morpholin-4-ylethanone (PubChem CID 45488337) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-1-morpholin-4-ylethanone
PubChem CID45488337
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name2-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-1-morpholin-4-ylethanone
SMILESCn1nccc1C(OCC(=O)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O3/c1-20-15(6-7-19-20)17(13-2-4-14(18)5-3-13)24-12-16(22)21-8-10-23-11-9-21/h2-7,17H,8-12H2,1H3
InChIKeyWTKWGMZRDDFJAI-UHFFFAOYSA-N
XLogP1.52
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-1-morpholin-4-ylethanone 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-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-1-morpholin-4-ylethanone (CID 45488337) is 2-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-1-morpholin-4-ylethanone is Cn1nccc1C(OCC(=O)N1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-1-morpholin-4-ylethanone?
The InChIKey is WTKWGMZRDDFJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-20-15(6-7-19-20)17(13-2-4-14(18)5-3-13)24-12-16(22)21-8-10-23-11-9-21/h2-7,17H,8-12H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-1-morpholin-4-ylethanone?
2-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-1-morpholin-4-ylethanone has a molecular weight of 333.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 45488337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).