2-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone

C20H17FN2O2 — CID 58091102

IUPAC2-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone
SMILESCc1cccc(C(=O)Cc2cn[nH]c2C(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C20H17FN2O2/c1-13-3-2-4-15(9-13)18(24)11-16-12-22-23-20(16)19(25)10-14-5-7-17(21)8-6-14/h2-9,12H,10-11H2,1H3,(H,22,23)
InChIKeyGSVFSHYPUUMRDC-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.71
Rot. Bonds6

About 2-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone

2-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone (PubChem CID 58091102) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone
PubChem CID58091102
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name2-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone
SMILESCc1cccc(C(=O)Cc2cn[nH]c2C(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C20H17FN2O2/c1-13-3-2-4-15(9-13)18(24)11-16-12-22-23-20(16)19(25)10-14-5-7-17(21)8-6-14/h2-9,12H,10-11H2,1H3,(H,22,23)
InChIKeyGSVFSHYPUUMRDC-UHFFFAOYSA-N
XLogP3.71
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone
CID 54959513
2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62029617
2-(4-fluorophenyl)-1-(3-iodophenyl)ethanone
CID 24723952
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide
CID 108538687
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone
CID 43802304
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
2-(3-aminophenyl)-1-(3-methylphenyl)ethanone
CID 116577163
2-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-1-(3-methylphenyl)ethanone
CID 58337531
1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone
CID 63194906
2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840220
1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone
CID 60797589
1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 54980088

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone (CID 58091102) is 2-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone is Cc1cccc(C(=O)Cc2cn[nH]c2C(=O)Cc2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone?
The InChIKey is GSVFSHYPUUMRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-13-3-2-4-15(9-13)18(24)11-16-12-22-23-20(16)19(25)10-14-5-7-17(21)8-6-14/h2-9,12H,10-11H2,1H3,(H,22,23).
What are the key properties of 2-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone?
2-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone has a molecular weight of 336.37 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone is sourced from PubChem (CID 58091102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).