1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone

C15H17FN2O2 — CID 105086017

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCCc1cc(C(=O)Cc2ccc(OC)c(F)c2)n(C)n1
InChIInChI=1S/C15H17FN2O2/c1-4-11-9-13(18(2)17-11)14(19)8-10-5-6-15(20-3)12(16)7-10/h5-7,9H,4,8H2,1-3H3
InChIKeyLYCDJDICPPQOMK-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.56
Rot. Bonds5

About 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone

1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone (PubChem CID 105086017) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
PubChem CID105086017
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCCc1cc(C(=O)Cc2ccc(OC)c(F)c2)n(C)n1
InChIInChI=1S/C15H17FN2O2/c1-4-11-9-13(18(2)17-11)14(19)8-10-5-6-15(20-3)12(16)7-10/h5-7,9H,4,8H2,1-3H3
InChIKeyLYCDJDICPPQOMK-UHFFFAOYSA-N
XLogP2.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone
CID 105115019
2-(3,4-difluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone
CID 105124609
2-(1,3-diethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 115778768
1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966135
[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 24819516
1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
2-(3,4-dimethoxyphenyl)-1-(3-methyltriazol-4-yl)ethanone
CID 114685647
2-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanone
CID 63960954
2-(3-fluoro-4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 63553614
2-(3-fluoro-4-methoxyphenyl)-1-imidazol-1-ylethanone
CID 82116358
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 105105447
1-(4-ethylsulfanylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 106847918

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone (CID 105086017) is 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone is CCc1cc(C(=O)Cc2ccc(OC)c(F)c2)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is LYCDJDICPPQOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-4-11-9-13(18(2)17-11)14(19)8-10-5-6-15(20-3)12(16)7-10/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone?
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 276.31 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 105086017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).