5-[2-[(2-fluorophenyl)methylsulfonyl]ethyl]-1-methylpyrazole

C13H15FN2O2S — CID 167820754

IUPAC5-[2-[(2-fluorophenyl)methylsulfonyl]ethyl]-1-methylpyrazole
SMILESCn1nccc1CCS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C13H15FN2O2S/c1-16-12(6-8-15-16)7-9-19(17,18)10-11-4-2-3-5-13(11)14/h2-6,8H,7,9-10H2,1H3
InChIKeyRWSPJOAFNVPXOT-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.72
Rot. Bonds5

About 5-[2-[(2-fluorophenyl)methylsulfonyl]ethyl]-1-methylpyrazole

5-[2-[(2-fluorophenyl)methylsulfonyl]ethyl]-1-methylpyrazole (PubChem CID 167820754) has the molecular formula C13H15FN2O2S and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-[2-[(2-fluorophenyl)methylsulfonyl]ethyl]-1-methylpyrazole.

Molecular Properties

Compound Name5-[2-[(2-fluorophenyl)methylsulfonyl]ethyl]-1-methylpyrazole
PubChem CID167820754
Molecular FormulaC13H15FN2O2S
Molecular Weight282.34 g/mol
Exact Mass282.08
IUPAC Name5-[2-[(2-fluorophenyl)methylsulfonyl]ethyl]-1-methylpyrazole
SMILESCn1nccc1CCS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C13H15FN2O2S/c1-16-12(6-8-15-16)7-9-19(17,18)10-11-4-2-3-5-13(11)14/h2-6,8H,7,9-10H2,1H3
InChIKeyRWSPJOAFNVPXOT-UHFFFAOYSA-N
XLogP1.72
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(2-methylpyrazol-3-yl)ethyl methanesulfonate
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2-(2-fluorophenyl)ethanesulfonyl chloride
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2,6-diethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103001281
2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 103008087
N-[(5-bromo-2-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694333
2-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
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CID 103008397

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-fluorophenyl)methylsulfonyl]ethyl]-1-methylpyrazole?
The IUPAC name of 5-[2-[(2-fluorophenyl)methylsulfonyl]ethyl]-1-methylpyrazole (CID 167820754) is 5-[2-[(2-fluorophenyl)methylsulfonyl]ethyl]-1-methylpyrazole.
What is the SMILES notation for 5-[2-[(2-fluorophenyl)methylsulfonyl]ethyl]-1-methylpyrazole?
The canonical SMILES for 5-[2-[(2-fluorophenyl)methylsulfonyl]ethyl]-1-methylpyrazole is Cn1nccc1CCS(=O)(=O)Cc1ccccc1F.
What is the InChIKey of 5-[2-[(2-fluorophenyl)methylsulfonyl]ethyl]-1-methylpyrazole?
The InChIKey is RWSPJOAFNVPXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S/c1-16-12(6-8-15-16)7-9-19(17,18)10-11-4-2-3-5-13(11)14/h2-6,8H,7,9-10H2,1H3.
What are the key properties of 5-[2-[(2-fluorophenyl)methylsulfonyl]ethyl]-1-methylpyrazole?
5-[2-[(2-fluorophenyl)methylsulfonyl]ethyl]-1-methylpyrazole has a molecular weight of 282.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-fluorophenyl)methylsulfonyl]ethyl]-1-methylpyrazole is sourced from PubChem (CID 167820754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).