5-[[(1S)-1-(4-fluorophenyl)propyl]sulfonylmethyl]-1-methylpyrazole

C14H17FN2O2S — CID 129403199

IUPAC5-[[(1S)-1-(4-fluorophenyl)propyl]sulfonylmethyl]-1-methylpyrazole
SMILESCC[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1ccnn1C
InChIInChI=1S/C14H17FN2O2S/c1-3-14(11-4-6-12(15)7-5-11)20(18,19)10-13-8-9-16-17(13)2/h4-9,14H,3,10H2,1-2H3/t14-/m0/s1
InChIKeyGOIDWBDANFLWHX-AWEZNQCLSA-N
MW296.37 g/mol
LogP2.63
Rot. Bonds5

About 5-[[(1S)-1-(4-fluorophenyl)propyl]sulfonylmethyl]-1-methylpyrazole

5-[[(1S)-1-(4-fluorophenyl)propyl]sulfonylmethyl]-1-methylpyrazole (PubChem CID 129403199) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-[[(1S)-1-(4-fluorophenyl)propyl]sulfonylmethyl]-1-methylpyrazole.

Molecular Properties

Compound Name5-[[(1S)-1-(4-fluorophenyl)propyl]sulfonylmethyl]-1-methylpyrazole
PubChem CID129403199
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC Name5-[[(1S)-1-(4-fluorophenyl)propyl]sulfonylmethyl]-1-methylpyrazole
SMILESCC[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1ccnn1C
InChIInChI=1S/C14H17FN2O2S/c1-3-14(11-4-6-12(15)7-5-11)20(18,19)10-13-8-9-16-17(13)2/h4-9,14H,3,10H2,1-2H3/t14-/m0/s1
InChIKeyGOIDWBDANFLWHX-AWEZNQCLSA-N
XLogP2.63
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-1-(4-fluorophenyl)propyl]sulfonylmethyl]-1-methylpyrazole?
The IUPAC name of 5-[[(1S)-1-(4-fluorophenyl)propyl]sulfonylmethyl]-1-methylpyrazole (CID 129403199) is 5-[[(1S)-1-(4-fluorophenyl)propyl]sulfonylmethyl]-1-methylpyrazole.
What is the SMILES notation for 5-[[(1S)-1-(4-fluorophenyl)propyl]sulfonylmethyl]-1-methylpyrazole?
The canonical SMILES for 5-[[(1S)-1-(4-fluorophenyl)propyl]sulfonylmethyl]-1-methylpyrazole is CC[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1ccnn1C.
What is the InChIKey of 5-[[(1S)-1-(4-fluorophenyl)propyl]sulfonylmethyl]-1-methylpyrazole?
The InChIKey is GOIDWBDANFLWHX-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c1-3-14(11-4-6-12(15)7-5-11)20(18,19)10-13-8-9-16-17(13)2/h4-9,14H,3,10H2,1-2H3/t14-/m0/s1.
What are the key properties of 5-[[(1S)-1-(4-fluorophenyl)propyl]sulfonylmethyl]-1-methylpyrazole?
5-[[(1S)-1-(4-fluorophenyl)propyl]sulfonylmethyl]-1-methylpyrazole has a molecular weight of 296.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-1-(4-fluorophenyl)propyl]sulfonylmethyl]-1-methylpyrazole is sourced from PubChem (CID 129403199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).