N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C18H23F3N4O3S — CID 24818184

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCc1cc(C)n(CCCNC(=O)CCNS(=O)(=O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C18H23F3N4O3S/c1-13-12-14(2)25(24-13)11-5-9-22-17(26)8-10-23-29(27,28)16-7-4-3-6-15(16)18(19,20)21/h3-4,6-7,12,23H,5,8-11H2,1-2H3,(H,22,26)
InChIKeyGWIUXKMRQDJIAE-UHFFFAOYSA-N
MW432.47 g/mol
LogP2.39
Rot. Bonds9

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 24818184) has the molecular formula C18H23F3N4O3S and a molecular weight of 432.47 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID24818184
Molecular FormulaC18H23F3N4O3S
Molecular Weight432.47 g/mol
Exact Mass432.14
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCc1cc(C)n(CCCNC(=O)CCNS(=O)(=O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C18H23F3N4O3S/c1-13-12-14(2)25(24-13)11-5-9-22-17(26)8-10-23-29(27,28)16-7-4-3-6-15(16)18(19,20)21/h3-4,6-7,12,23H,5,8-11H2,1-2H3,(H,22,26)
InChIKeyGWIUXKMRQDJIAE-UHFFFAOYSA-N
XLogP2.39
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide 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-(3,5-dimethylpyrazol-1-yl)propyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 24818184) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is Cc1cc(C)n(CCCNC(=O)CCNS(=O)(=O)c2ccccc2C(F)(F)F)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is GWIUXKMRQDJIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O3S/c1-13-12-14(2)25(24-13)11-5-9-22-17(26)8-10-23-29(27,28)16-7-4-3-6-15(16)18(19,20)21/h3-4,6-7,12,23H,5,8-11H2,1-2H3,(H,22,26).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 432.47 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 24818184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).