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

C14H18FN3O2S — CID 86815886

IUPAC1-(3-fluoro-4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCCCc1cc(NS(=O)(=O)Cc2ccc(C)c(F)c2)n[nH]1
InChIInChI=1S/C14H18FN3O2S/c1-3-4-12-8-14(17-16-12)18-21(19,20)9-11-6-5-10(2)13(15)7-11/h5-8H,3-4,9H2,1-2H3,(H2,16,17,18)
InChIKeyWFDKQCAHZZLVED-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.75
Rot. Bonds6

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

1-(3-fluoro-4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide (PubChem CID 86815886) has the molecular formula C14H18FN3O2S and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide
PubChem CID86815886
Molecular FormulaC14H18FN3O2S
Molecular Weight311.38 g/mol
Exact Mass311.11
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCCCc1cc(NS(=O)(=O)Cc2ccc(C)c(F)c2)n[nH]1
InChIInChI=1S/C14H18FN3O2S/c1-3-4-12-8-14(17-16-12)18-21(19,20)9-11-6-5-10(2)13(15)7-11/h5-8H,3-4,9H2,1-2H3,(H2,16,17,18)
InChIKeyWFDKQCAHZZLVED-UHFFFAOYSA-N
XLogP2.75
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide (CID 86815886) is 1-(3-fluoro-4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide is CCCc1cc(NS(=O)(=O)Cc2ccc(C)c(F)c2)n[nH]1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide?
The InChIKey is WFDKQCAHZZLVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2S/c1-3-4-12-8-14(17-16-12)18-21(19,20)9-11-6-5-10(2)13(15)7-11/h5-8H,3-4,9H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide?
1-(3-fluoro-4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide has a molecular weight of 311.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide is sourced from PubChem (CID 86815886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).