2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C18H23FN4O2 — CID 33217648

IUPAC2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)CN1CCO[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C18H23FN4O2/c1-13(2)23-17(7-8-20-23)21-18(24)12-22-9-10-25-16(11-22)14-3-5-15(19)6-4-14/h3-8,13,16H,9-12H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyWTBAVGBKWKUFPH-INIZCTEOSA-N
MW346.41 g/mol
LogP2.62
Rot. Bonds5

About 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 33217648) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID33217648
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)CN1CCO[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C18H23FN4O2/c1-13(2)23-17(7-8-20-23)21-18(24)12-22-9-10-25-16(11-22)14-3-5-15(19)6-4-14/h3-8,13,16H,9-12H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyWTBAVGBKWKUFPH-INIZCTEOSA-N
XLogP2.62
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 33217648) is 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is CC(C)n1nccc1NC(=O)CN1CCO[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is WTBAVGBKWKUFPH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-13(2)23-17(7-8-20-23)21-18(24)12-22-9-10-25-16(11-22)14-3-5-15(19)6-4-14/h3-8,13,16H,9-12H2,1-2H3,(H,21,24)/t16-/m0/s1.
What are the key properties of 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 346.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 33217648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).