2-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

C13H14FN3O — CID 103856392

IUPAC2-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccccc1F)c1cn[nH]c1
InChIInChI=1S/C13H14FN3O/c1-9(11-7-15-16-8-11)17-13(18)6-10-4-2-3-5-12(10)14/h2-5,7-9H,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyLPLSNDFTOORSLC-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.97
Rot. Bonds4

About 2-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

2-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (PubChem CID 103856392) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
PubChem CID103856392
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name2-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccccc1F)c1cn[nH]c1
InChIInChI=1S/C13H14FN3O/c1-9(11-7-15-16-8-11)17-13(18)6-10-4-2-3-5-12(10)14/h2-5,7-9H,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyLPLSNDFTOORSLC-UHFFFAOYSA-N
XLogP1.97
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856634
2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106212825
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 7733439
2-(3-fluoro-4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856029
2-(2-fluorophenyl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 7936631
3-methyl-3-phenyl-N,N'-bis[1-(1H-pyrazol-4-yl)ethyl]pentanediamide
CID 166185847
2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856094
2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856738
2-(2-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 6470392
2-(4-acetamidophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856024
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
2-(4-butylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856173

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (CID 103856392) is 2-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is CC(NC(=O)Cc1ccccc1F)c1cn[nH]c1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The InChIKey is LPLSNDFTOORSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-9(11-7-15-16-8-11)17-13(18)6-10-4-2-3-5-12(10)14/h2-5,7-9H,6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
2-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide has a molecular weight of 247.27 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 103856392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).