2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-oxo-1H-pyridin-3-yl)acetamide

C18H17FN4O2 — CID 51120059

IUPAC2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-oxo-1H-pyridin-3-yl)acetamide
SMILESCc1nn(-c2ccccc2F)c(C)c1CC(=O)Nc1c[nH]ccc1=O
InChIInChI=1S/C18H17FN4O2/c1-11-13(9-18(25)21-15-10-20-8-7-17(15)24)12(2)23(22-11)16-6-4-3-5-14(16)19/h3-8,10H,9H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyIGAGMYORNLRLKJ-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.50
Rot. Bonds4

About 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-oxo-1H-pyridin-3-yl)acetamide

2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-oxo-1H-pyridin-3-yl)acetamide (PubChem CID 51120059) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-oxo-1H-pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-oxo-1H-pyridin-3-yl)acetamide
PubChem CID51120059
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-oxo-1H-pyridin-3-yl)acetamide
SMILESCc1nn(-c2ccccc2F)c(C)c1CC(=O)Nc1c[nH]ccc1=O
InChIInChI=1S/C18H17FN4O2/c1-11-13(9-18(25)21-15-10-20-8-7-17(15)24)12(2)23(22-11)16-6-4-3-5-14(16)19/h3-8,10H,9H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyIGAGMYORNLRLKJ-UHFFFAOYSA-N
XLogP2.50
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propanoate
CID 61381036
2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 129419034
2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[(2S)-thiolan-2-yl]methyl]acetamide
CID 96539271
2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-phenylbut-3-ynyl]acetamide
CID 97065618
2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 52535876
N-(2-ethylsulfonylphenyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55760787
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-ethylphenyl)acetamide
CID 55736830
2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide
CID 51955488
N-(3-amino-3-oxopropyl)-2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide
CID 56573241
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylacetamide
CID 51955980
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide
CID 9403845
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 51211336

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-oxo-1H-pyridin-3-yl)acetamide?
The IUPAC name of 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-oxo-1H-pyridin-3-yl)acetamide (CID 51120059) is 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-oxo-1H-pyridin-3-yl)acetamide.
What is the SMILES notation for 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-oxo-1H-pyridin-3-yl)acetamide?
The canonical SMILES for 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-oxo-1H-pyridin-3-yl)acetamide is Cc1nn(-c2ccccc2F)c(C)c1CC(=O)Nc1c[nH]ccc1=O.
What is the InChIKey of 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-oxo-1H-pyridin-3-yl)acetamide?
The InChIKey is IGAGMYORNLRLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-11-13(9-18(25)21-15-10-20-8-7-17(15)24)12(2)23(22-11)16-6-4-3-5-14(16)19/h3-8,10H,9H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-oxo-1H-pyridin-3-yl)acetamide?
2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-oxo-1H-pyridin-3-yl)acetamide has a molecular weight of 340.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-oxo-1H-pyridin-3-yl)acetamide is sourced from PubChem (CID 51120059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).