1-(4-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide

C13H16FN3O2S — CID 115698303

IUPAC1-(4-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCCCc1cc(NS(=O)(=O)Cc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C13H16FN3O2S/c1-2-3-12-8-13(16-15-12)17-20(18,19)9-10-4-6-11(14)7-5-10/h4-8H,2-3,9H2,1H3,(H2,15,16,17)
InChIKeyDUSGODALUCUVBV-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.44
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide

1-(4-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide (PubChem CID 115698303) has the molecular formula C13H16FN3O2S and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide
PubChem CID115698303
Molecular FormulaC13H16FN3O2S
Molecular Weight297.35 g/mol
Exact Mass297.09
IUPAC Name1-(4-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCCCc1cc(NS(=O)(=O)Cc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C13H16FN3O2S/c1-2-3-12-8-13(16-15-12)17-20(18,19)9-10-4-6-11(14)7-5-10/h4-8H,2-3,9H2,1H3,(H2,15,16,17)
InChIKeyDUSGODALUCUVBV-UHFFFAOYSA-N
XLogP2.44
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide (CID 115698303) is 1-(4-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide is CCCc1cc(NS(=O)(=O)Cc2ccc(F)cc2)n[nH]1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide?
The InChIKey is DUSGODALUCUVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2S/c1-2-3-12-8-13(16-15-12)17-20(18,19)9-10-4-6-11(14)7-5-10/h4-8H,2-3,9H2,1H3,(H2,15,16,17).
What are the key properties of 1-(4-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide?
1-(4-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide has a molecular weight of 297.35 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide is sourced from PubChem (CID 115698303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).