2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methylsulfonylphenyl)ethanone

C15H18N2O3S — CID 115779650

IUPAC2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methylsulfonylphenyl)ethanone
SMILESCCn1nc(C)cc1CC(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H18N2O3S/c1-4-17-13(8-11(2)16-17)10-15(18)12-6-5-7-14(9-12)21(3,19)20/h5-9H,4,10H2,1-3H3
InChIKeyNZUXZUNCAZDUKF-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.04
Rot. Bonds5

About 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methylsulfonylphenyl)ethanone

2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methylsulfonylphenyl)ethanone (PubChem CID 115779650) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methylsulfonylphenyl)ethanone
PubChem CID115779650
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methylsulfonylphenyl)ethanone
SMILESCCn1nc(C)cc1CC(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H18N2O3S/c1-4-17-13(8-11(2)16-17)10-15(18)12-6-5-7-14(9-12)21(3,19)20/h5-9H,4,10H2,1-3H3
InChIKeyNZUXZUNCAZDUKF-UHFFFAOYSA-N
XLogP2.04
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 107996478
2-(2-ethyl-5-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 115779676
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methylsulfonylphenyl)ethanone
CID 114979194
1-(3-methylsulfonylphenyl)butan-1-one
CID 83957439
1-(3-methylsulfonylphenyl)-2-pyridin-4-ylethanone
CID 114981634
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115779721
1-(2,5-dimethylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 115779644
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethanone
CID 115779560
1-(3-methylsulfonylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 114979939
2-(2-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone
CID 114962970
2-(3-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone
CID 114962432
2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]acetic acid
CID 25248551

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methylsulfonylphenyl)ethanone?
The IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methylsulfonylphenyl)ethanone (CID 115779650) is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methylsulfonylphenyl)ethanone is CCn1nc(C)cc1CC(=O)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methylsulfonylphenyl)ethanone?
The InChIKey is NZUXZUNCAZDUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-4-17-13(8-11(2)16-17)10-15(18)12-6-5-7-14(9-12)21(3,19)20/h5-9H,4,10H2,1-3H3.
What are the key properties of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methylsulfonylphenyl)ethanone?
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methylsulfonylphenyl)ethanone has a molecular weight of 306.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 115779650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).