2-(3-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide

C12H12FN3O — CID 16621990

IUPAC2-(3-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)Cc2cccc(F)c2)n1
InChIInChI=1S/C12H12FN3O/c1-16-6-5-11(15-16)14-12(17)8-9-3-2-4-10(13)7-9/h2-7H,8H2,1H3,(H,14,15,17)
InChIKeyAJWHPQJUCIMCTC-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.74
Rot. Bonds3

About 2-(3-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide

2-(3-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 16621990) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID16621990
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name2-(3-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)Cc2cccc(F)c2)n1
InChIInChI=1S/C12H12FN3O/c1-16-6-5-11(15-16)14-12(17)8-9-3-2-4-10(13)7-9/h2-7H,8H2,1H3,(H,14,15,17)
InChIKeyAJWHPQJUCIMCTC-UHFFFAOYSA-N
XLogP1.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide (CID 16621990) is 2-(3-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide is Cn1ccc(NC(=O)Cc2cccc(F)c2)n1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is AJWHPQJUCIMCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-16-6-5-11(15-16)14-12(17)8-9-3-2-4-10(13)7-9/h2-7H,8H2,1H3,(H,14,15,17).
What are the key properties of 2-(3-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide?
2-(3-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 233.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 16621990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).