1-[2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one

C17H20FN3O2 — CID 118764829

IUPAC1-[2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1CCC(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H20FN3O2/c1-20-15(8-9-19-20)6-7-17(22)21-10-11-23-16(12-21)13-2-4-14(18)5-3-13/h2-5,8-9,16H,6-7,10-12H2,1H3
InChIKeyCACPEKVBGSDPMV-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.09
Rot. Bonds4

About 1-[2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one

1-[2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one (PubChem CID 118764829) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
PubChem CID118764829
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name1-[2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1CCC(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H20FN3O2/c1-20-15(8-9-19-20)6-7-17(22)21-10-11-23-16(12-21)13-2-4-14(18)5-3-13/h2-5,8-9,16H,6-7,10-12H2,1H3
InChIKeyCACPEKVBGSDPMV-UHFFFAOYSA-N
XLogP2.09
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one 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 1-[2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The IUPAC name of 1-[2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one (CID 118764829) is 1-[2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one is Cn1nccc1CCC(=O)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The InChIKey is CACPEKVBGSDPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-20-15(8-9-19-20)6-7-17(22)21-10-11-23-16(12-21)13-2-4-14(18)5-3-13/h2-5,8-9,16H,6-7,10-12H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
1-[2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one has a molecular weight of 317.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 118764829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).