2-(4-fluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide

C18H17FN4O — CID 71797615

IUPAC2-(4-fluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide
SMILESCn1nc(CNC(=O)Cc2ccc(F)cc2)cc1-c1ccccn1
InChIInChI=1S/C18H17FN4O/c1-23-17(16-4-2-3-9-20-16)11-15(22-23)12-21-18(24)10-13-5-7-14(19)8-6-13/h2-9,11H,10,12H2,1H3,(H,21,24)
InChIKeyVVCVGLHTBMXSHM-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.48
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide

2-(4-fluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide (PubChem CID 71797615) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide
PubChem CID71797615
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name2-(4-fluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide
SMILESCn1nc(CNC(=O)Cc2ccc(F)cc2)cc1-c1ccccn1
InChIInChI=1S/C18H17FN4O/c1-23-17(16-4-2-3-9-20-16)11-15(22-23)12-21-18(24)10-13-5-7-14(19)8-6-13/h2-9,11H,10,12H2,1H3,(H,21,24)
InChIKeyVVCVGLHTBMXSHM-UHFFFAOYSA-N
XLogP2.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide (CID 71797615) is 2-(4-fluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide is Cn1nc(CNC(=O)Cc2ccc(F)cc2)cc1-c1ccccn1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide?
The InChIKey is VVCVGLHTBMXSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-23-17(16-4-2-3-9-20-16)11-15(22-23)12-21-18(24)10-13-5-7-14(19)8-6-13/h2-9,11H,10,12H2,1H3,(H,21,24).
What are the key properties of 2-(4-fluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide?
2-(4-fluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide has a molecular weight of 324.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 71797615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).