2-(2-fluorophenyl)-N-[1-hydroxy-3-(1-methylpyrazol-4-yl)propan-2-yl]-2-methoxypropanamide

C17H22FN3O3 — CID 126827780

IUPAC2-(2-fluorophenyl)-N-[1-hydroxy-3-(1-methylpyrazol-4-yl)propan-2-yl]-2-methoxypropanamide
SMILESCOC(C)(C(=O)NC(CO)Cc1cnn(C)c1)c1ccccc1F
InChIInChI=1S/C17H22FN3O3/c1-17(24-3,14-6-4-5-7-15(14)18)16(23)20-13(11-22)8-12-9-19-21(2)10-12/h4-7,9-10,13,22H,8,11H2,1-3H3,(H,20,23)
InChIKeyNOFCJJFSEDBHRT-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.14
Rot. Bonds7

About 2-(2-fluorophenyl)-N-[1-hydroxy-3-(1-methylpyrazol-4-yl)propan-2-yl]-2-methoxypropanamide

2-(2-fluorophenyl)-N-[1-hydroxy-3-(1-methylpyrazol-4-yl)propan-2-yl]-2-methoxypropanamide (PubChem CID 126827780) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[1-hydroxy-3-(1-methylpyrazol-4-yl)propan-2-yl]-2-methoxypropanamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[1-hydroxy-3-(1-methylpyrazol-4-yl)propan-2-yl]-2-methoxypropanamide
PubChem CID126827780
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name2-(2-fluorophenyl)-N-[1-hydroxy-3-(1-methylpyrazol-4-yl)propan-2-yl]-2-methoxypropanamide
SMILESCOC(C)(C(=O)NC(CO)Cc1cnn(C)c1)c1ccccc1F
InChIInChI=1S/C17H22FN3O3/c1-17(24-3,14-6-4-5-7-15(14)18)16(23)20-13(11-22)8-12-9-19-21(2)10-12/h4-7,9-10,13,22H,8,11H2,1-3H3,(H,20,23)
InChIKeyNOFCJJFSEDBHRT-UHFFFAOYSA-N
XLogP1.14
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[1-hydroxy-3-(1-methylpyrazol-4-yl)propan-2-yl]-2-methoxypropanamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[1-hydroxy-3-(1-methylpyrazol-4-yl)propan-2-yl]-2-methoxypropanamide (CID 126827780) is 2-(2-fluorophenyl)-N-[1-hydroxy-3-(1-methylpyrazol-4-yl)propan-2-yl]-2-methoxypropanamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[1-hydroxy-3-(1-methylpyrazol-4-yl)propan-2-yl]-2-methoxypropanamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[1-hydroxy-3-(1-methylpyrazol-4-yl)propan-2-yl]-2-methoxypropanamide is COC(C)(C(=O)NC(CO)Cc1cnn(C)c1)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-[1-hydroxy-3-(1-methylpyrazol-4-yl)propan-2-yl]-2-methoxypropanamide?
The InChIKey is NOFCJJFSEDBHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3/c1-17(24-3,14-6-4-5-7-15(14)18)16(23)20-13(11-22)8-12-9-19-21(2)10-12/h4-7,9-10,13,22H,8,11H2,1-3H3,(H,20,23).
What are the key properties of 2-(2-fluorophenyl)-N-[1-hydroxy-3-(1-methylpyrazol-4-yl)propan-2-yl]-2-methoxypropanamide?
2-(2-fluorophenyl)-N-[1-hydroxy-3-(1-methylpyrazol-4-yl)propan-2-yl]-2-methoxypropanamide has a molecular weight of 335.38 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[1-hydroxy-3-(1-methylpyrazol-4-yl)propan-2-yl]-2-methoxypropanamide is sourced from PubChem (CID 126827780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).