1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone

C11H9FN2O — CID 105455963

IUPAC1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone
SMILESCC(=O)c1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C11H9FN2O/c1-7(15)10-6-13-14-11(10)8-3-2-4-9(12)5-8/h2-6H,1H3,(H,13,14)
InChIKeyJBBYBBFQSXOYAJ-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.42
Rot. Bonds2

About 1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone

1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone (PubChem CID 105455963) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone
PubChem CID105455963
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone
SMILESCC(=O)c1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C11H9FN2O/c1-7(15)10-6-13-14-11(10)8-3-2-4-9(12)5-8/h2-6H,1H3,(H,13,14)
InChIKeyJBBYBBFQSXOYAJ-UHFFFAOYSA-N
XLogP2.42
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-5-(3-fluorophenyl)-1H-pyrazole
CID 143699505
N-(2-tert-butylsulfanylethyl)-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 74235548
N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 70737970
2-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 154565308
5-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1H-pyrazole-4-carboxamide;dihydrochloride
CID 154897067
5-(3-fluorophenyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
CID 95202437
N-[3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropyl]acetamide
CID 170831436
5-(3-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 56905197
N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 23005780
N-cyclopropyl-5-(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 70740715
N-ethyl-5-(3-fluorophenyl)-N-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 97132375
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 70771223

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone?
The IUPAC name of 1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone (CID 105455963) is 1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone is CC(=O)c1cn[nH]c1-c1cccc(F)c1.
What is the InChIKey of 1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone?
The InChIKey is JBBYBBFQSXOYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-7(15)10-6-13-14-11(10)8-3-2-4-9(12)5-8/h2-6H,1H3,(H,13,14).
What are the key properties of 1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone?
1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone has a molecular weight of 204.20 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone is sourced from PubChem (CID 105455963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).