1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one

C16H19FN2O — CID 61236507

IUPAC1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one
SMILESCCc1c(C)nn(CC(=O)Cc2ccc(F)cc2)c1C
InChIInChI=1S/C16H19FN2O/c1-4-16-11(2)18-19(12(16)3)10-15(20)9-13-5-7-14(17)8-6-13/h5-8H,4,9-10H2,1-3H3
InChIKeyJTHGPUMKCRBQSB-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.01
Rot. Bonds5

About 1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one

1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one (PubChem CID 61236507) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one
PubChem CID61236507
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one
SMILESCCc1c(C)nn(CC(=O)Cc2ccc(F)cc2)c1C
InChIInChI=1S/C16H19FN2O/c1-4-16-11(2)18-19(12(16)3)10-15(20)9-13-5-7-14(17)8-6-13/h5-8H,4,9-10H2,1-3H3
InChIKeyJTHGPUMKCRBQSB-UHFFFAOYSA-N
XLogP3.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61294269
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 61239022
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate
CID 50888392
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 43647382
1-(4-fluorophenyl)pentane-2,4-dione
CID 57447744
1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-one
CID 43802012
N-(4-aminophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylacetamide
CID 61237766
3-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458941
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
CID 61238347
1-butan-2-ylsulfanyl-3-(4-fluorophenyl)propan-2-one
CID 43802024
1-[3-(4-fluorophenyl)-2-oxopropyl]-3-methylpyridin-2-one
CID 55158413
1-[3-(4-fluorophenyl)-2-oxopropyl]-6-methylpyridin-2-one
CID 62024908

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one?
The IUPAC name of 1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one (CID 61236507) is 1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one is CCc1c(C)nn(CC(=O)Cc2ccc(F)cc2)c1C.
What is the InChIKey of 1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one?
The InChIKey is JTHGPUMKCRBQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-4-16-11(2)18-19(12(16)3)10-15(20)9-13-5-7-14(17)8-6-13/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one?
1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one has a molecular weight of 274.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one is sourced from PubChem (CID 61236507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).