1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one

C10H16N2O3S — CID 103024265

IUPAC1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one
SMILESCC(C(=O)CCc1ccnn1C)S(C)(=O)=O
InChIInChI=1S/C10H16N2O3S/c1-8(16(3,14)15)10(13)5-4-9-6-7-11-12(9)2/h6-8H,4-5H2,1-3H3
InChIKeySMAXEBKILLOTJI-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.35
Rot. Bonds5

About 1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one

1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one (PubChem CID 103024265) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one
PubChem CID103024265
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one
SMILESCC(C(=O)CCc1ccnn1C)S(C)(=O)=O
InChIInChI=1S/C10H16N2O3S/c1-8(16(3,14)15)10(13)5-4-9-6-7-11-12(9)2/h6-8H,4-5H2,1-3H3
InChIKeySMAXEBKILLOTJI-UHFFFAOYSA-N
XLogP0.35
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 ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103024188
4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one
CID 103024248
1-amino-4-(2-methylpyrazol-3-yl)-1-phenylbutan-2-one
CID 103023503
1-cyclopropyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103007918
3-[3-(2-methylpyrazol-3-yl)propanoyl-propan-2-ylamino]propanoic acid
CID 120520177
2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005024
1-(2-methylpyrazol-3-yl)-2-methylsulfonylpropan-1-one
CID 114972552
2-(2-methylpyrazol-3-yl)ethyl methanesulfonate
CID 118545210
5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103023752
4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-ol
CID 103027950
11-(2-methylpyrazol-3-yl)undecanoic acid
CID 10778184
5-ethyl-1-(2-methylpyrazol-3-yl)hept-4-en-3-one
CID 103458670

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one (CID 103024265) is 1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one is CC(C(=O)CCc1ccnn1C)S(C)(=O)=O.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one?
The InChIKey is SMAXEBKILLOTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-8(16(3,14)15)10(13)5-4-9-6-7-11-12(9)2/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one?
1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one has a molecular weight of 244.32 g/mol, XLogP of 0.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one is sourced from PubChem (CID 103024265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).