N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylmorpholin-4-yl)acetamide

C17H21FN4O2 — CID 60507872

IUPACN-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylmorpholin-4-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCOC(C)C2)n(-c2ccccc2F)n1
InChIInChI=1S/C17H21FN4O2/c1-12-9-16(22(20-12)15-6-4-3-5-14(15)18)19-17(23)11-21-7-8-24-13(2)10-21/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,19,23)
InChIKeyWUSCSHBLXQGGDL-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.98
Rot. Bonds4

About N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylmorpholin-4-yl)acetamide

N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylmorpholin-4-yl)acetamide (PubChem CID 60507872) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylmorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylmorpholin-4-yl)acetamide
PubChem CID60507872
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC NameN-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylmorpholin-4-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCOC(C)C2)n(-c2ccccc2F)n1
InChIInChI=1S/C17H21FN4O2/c1-12-9-16(22(20-12)15-6-4-3-5-14(15)18)19-17(23)11-21-7-8-24-13(2)10-21/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,19,23)
InChIKeyWUSCSHBLXQGGDL-UHFFFAOYSA-N
XLogP1.98
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylmorpholin-4-yl)acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylmorpholin-4-yl)acetamide (CID 60507872) is N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylmorpholin-4-yl)acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylmorpholin-4-yl)acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylmorpholin-4-yl)acetamide is Cc1cc(NC(=O)CN2CCOC(C)C2)n(-c2ccccc2F)n1.
What is the InChIKey of N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylmorpholin-4-yl)acetamide?
The InChIKey is WUSCSHBLXQGGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-12-9-16(22(20-12)15-6-4-3-5-14(15)18)19-17(23)11-21-7-8-24-13(2)10-21/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylmorpholin-4-yl)acetamide?
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylmorpholin-4-yl)acetamide has a molecular weight of 332.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylmorpholin-4-yl)acetamide is sourced from PubChem (CID 60507872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).