1-(3-fluorophenyl)-N-[2-(2-methylpropyl)pyrazol-3-yl]methanesulfonamide

C14H18FN3O2S — CID 71971409

IUPAC1-(3-fluorophenyl)-N-[2-(2-methylpropyl)pyrazol-3-yl]methanesulfonamide
SMILESCC(C)Cn1nccc1NS(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C14H18FN3O2S/c1-11(2)9-18-14(6-7-16-18)17-21(19,20)10-12-4-3-5-13(15)8-12/h3-8,11,17H,9-10H2,1-2H3
InChIKeyOSBRPPCKARNING-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.62
Rot. Bonds6

About 1-(3-fluorophenyl)-N-[2-(2-methylpropyl)pyrazol-3-yl]methanesulfonamide

1-(3-fluorophenyl)-N-[2-(2-methylpropyl)pyrazol-3-yl]methanesulfonamide (PubChem CID 71971409) has the molecular formula C14H18FN3O2S and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[2-(2-methylpropyl)pyrazol-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[2-(2-methylpropyl)pyrazol-3-yl]methanesulfonamide
PubChem CID71971409
Molecular FormulaC14H18FN3O2S
Molecular Weight311.38 g/mol
Exact Mass311.11
IUPAC Name1-(3-fluorophenyl)-N-[2-(2-methylpropyl)pyrazol-3-yl]methanesulfonamide
SMILESCC(C)Cn1nccc1NS(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C14H18FN3O2S/c1-11(2)9-18-14(6-7-16-18)17-21(19,20)10-12-4-3-5-13(15)8-12/h3-8,11,17H,9-10H2,1-2H3
InChIKeyOSBRPPCKARNING-UHFFFAOYSA-N
XLogP2.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[2-(2-methylpropyl)pyrazol-3-yl]methanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[2-(2-methylpropyl)pyrazol-3-yl]methanesulfonamide (CID 71971409) is 1-(3-fluorophenyl)-N-[2-(2-methylpropyl)pyrazol-3-yl]methanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[2-(2-methylpropyl)pyrazol-3-yl]methanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[2-(2-methylpropyl)pyrazol-3-yl]methanesulfonamide is CC(C)Cn1nccc1NS(=O)(=O)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[2-(2-methylpropyl)pyrazol-3-yl]methanesulfonamide?
The InChIKey is OSBRPPCKARNING-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2S/c1-11(2)9-18-14(6-7-16-18)17-21(19,20)10-12-4-3-5-13(15)8-12/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-[2-(2-methylpropyl)pyrazol-3-yl]methanesulfonamide?
1-(3-fluorophenyl)-N-[2-(2-methylpropyl)pyrazol-3-yl]methanesulfonamide has a molecular weight of 311.38 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[2-(2-methylpropyl)pyrazol-3-yl]methanesulfonamide is sourced from PubChem (CID 71971409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).