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

C12H12FN3O — CID 16622031

IUPAC2-(2-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)Cc2ccccc2F)n1
InChIInChI=1S/C12H12FN3O/c1-16-7-6-11(15-16)14-12(17)8-9-4-2-3-5-10(9)13/h2-7H,8H2,1H3,(H,14,15,17)
InChIKeyNFWRJVYADXAXDA-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.74
Rot. Bonds3

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

2-(2-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 16622031) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID16622031
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name2-(2-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)Cc2ccccc2F)n1
InChIInChI=1S/C12H12FN3O/c1-16-7-6-11(15-16)14-12(17)8-9-4-2-3-5-10(9)13/h2-7H,8H2,1H3,(H,14,15,17)
InChIKeyNFWRJVYADXAXDA-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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Related Compounds

N-(1-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide
CID 16962879
3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide
CID 177229835
2-fluoro-N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]benzamide
CID 51237886
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 18152741
2-(4-fluorophenyl)sulfanyl-N-(1-methylpyrazol-3-yl)acetamide
CID 18152531
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 71938716
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(1-methylpyrazol-3-yl)benzamide
CID 51237893
2-(2-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728564
2-(2-fluorophenyl)-N-quinolin-2-ylacetamide
CID 51193537
2-[(2,4-difluorophenoxy)methyl]-N-(1-methylpyrazol-3-yl)benzamide
CID 4774851
1-[(2-fluorophenyl)methoxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778483
2-(2,6-difluorophenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135316122

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide (CID 16622031) is 2-(2-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide is Cn1ccc(NC(=O)Cc2ccccc2F)n1.
What is the InChIKey of 2-(2-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is NFWRJVYADXAXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-16-7-6-11(15-16)14-12(17)8-9-4-2-3-5-10(9)13/h2-7H,8H2,1H3,(H,14,15,17).
What are the key properties of 2-(2-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide?
2-(2-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-(2-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 16622031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).