N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]methanesulfonamide

C11H16F3N3O2S — CID 22207712

IUPACN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C11H16F3N3O2S/c1-20(18,19)15-5-2-6-17-9(8-3-4-8)7-10(16-17)11(12,13)14/h7-8,15H,2-6H2,1H3
InChIKeyJNIFKINHBDUQPM-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.72
Rot. Bonds6

About N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]methanesulfonamide

N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]methanesulfonamide (PubChem CID 22207712) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]methanesulfonamide
PubChem CID22207712
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC NameN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C11H16F3N3O2S/c1-20(18,19)15-5-2-6-17-9(8-3-4-8)7-10(16-17)11(12,13)14/h7-8,15H,2-6H2,1H3
InChIKeyJNIFKINHBDUQPM-UHFFFAOYSA-N
XLogP1.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]methanesulfonamide?
The IUPAC name of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]methanesulfonamide (CID 22207712) is N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]methanesulfonamide is CS(=O)(=O)NCCCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]methanesulfonamide?
The InChIKey is JNIFKINHBDUQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c1-20(18,19)15-5-2-6-17-9(8-3-4-8)7-10(16-17)11(12,13)14/h7-8,15H,2-6H2,1H3.
What are the key properties of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]methanesulfonamide?
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]methanesulfonamide has a molecular weight of 311.33 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 22207712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).