1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylsulfonylpropan-1-one

C10H16N2O3S — CID 114983951

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylsulfonylpropan-1-one
SMILESCCn1nc(C)cc1C(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H16N2O3S/c1-4-12-9(7-8(2)11-12)10(13)5-6-16(3,14)15/h7H,4-6H2,1-3H3
InChIKeyQSANQNCDTFCHRK-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.83
Rot. Bonds5

About 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylsulfonylpropan-1-one

1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylsulfonylpropan-1-one (PubChem CID 114983951) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylsulfonylpropan-1-one
PubChem CID114983951
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylsulfonylpropan-1-one
SMILESCCn1nc(C)cc1C(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H16N2O3S/c1-4-12-9(7-8(2)11-12)10(13)5-6-16(3,14)15/h7H,4-6H2,1-3H3
InChIKeyQSANQNCDTFCHRK-UHFFFAOYSA-N
XLogP0.83
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylsulfonylpropan-1-one?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylsulfonylpropan-1-one (CID 114983951) is 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylsulfonylpropan-1-one.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylsulfonylpropan-1-one?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylsulfonylpropan-1-one is CCn1nc(C)cc1C(=O)CCS(C)(=O)=O.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylsulfonylpropan-1-one?
The InChIKey is QSANQNCDTFCHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-4-12-9(7-8(2)11-12)10(13)5-6-16(3,14)15/h7H,4-6H2,1-3H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylsulfonylpropan-1-one?
1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylsulfonylpropan-1-one has a molecular weight of 244.32 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylsulfonylpropan-1-one is sourced from PubChem (CID 114983951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).