N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]ethanesulfonamide

C10H16F3N3O2S — CID 22207671

IUPACN-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C10H16F3N3O2S/c1-3-19(17,18)14-5-4-6-16-8(2)7-9(15-16)10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyQEIICSJDMMAVMT-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.54
Rot. Bonds6

About N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]ethanesulfonamide

N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]ethanesulfonamide (PubChem CID 22207671) has the molecular formula C10H16F3N3O2S and a molecular weight of 299.32 g/mol. Its IUPAC name is N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]ethanesulfonamide
PubChem CID22207671
Molecular FormulaC10H16F3N3O2S
Molecular Weight299.32 g/mol
Exact Mass299.09
IUPAC NameN-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C10H16F3N3O2S/c1-3-19(17,18)14-5-4-6-16-8(2)7-9(15-16)10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyQEIICSJDMMAVMT-UHFFFAOYSA-N
XLogP1.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]ethanesulfonamide?
The IUPAC name of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]ethanesulfonamide (CID 22207671) is N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]ethanesulfonamide.
What is the SMILES notation for N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]ethanesulfonamide?
The canonical SMILES for N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]ethanesulfonamide is CCS(=O)(=O)NCCCn1nc(C(F)(F)F)cc1C.
What is the InChIKey of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]ethanesulfonamide?
The InChIKey is QEIICSJDMMAVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2S/c1-3-19(17,18)14-5-4-6-16-8(2)7-9(15-16)10(11,12)13/h7,14H,3-6H2,1-2H3.
What are the key properties of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]ethanesulfonamide?
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]ethanesulfonamide has a molecular weight of 299.32 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]ethanesulfonamide is sourced from PubChem (CID 22207671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).