2-(4-iodopyrazol-1-yl)-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]propanamide

C15H15F3IN3O3S — CID 167460050

IUPAC2-(4-iodopyrazol-1-yl)-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(C(=O)Nc1ccc(C(F)(F)F)cc1S(C)(=O)=O)n1cc(I)cn1
InChIInChI=1S/C15H15F3IN3O3S/c1-14(2,22-8-10(19)7-20-22)13(23)21-11-5-4-9(15(16,17)18)6-12(11)26(3,24)25/h4-8H,1-3H3,(H,21,23)
InChIKeyJISYWGHXKKHTJR-UHFFFAOYSA-N
MW501.27 g/mol
LogP3.28
Rot. Bonds4

About 2-(4-iodopyrazol-1-yl)-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]propanamide

2-(4-iodopyrazol-1-yl)-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]propanamide (PubChem CID 167460050) has the molecular formula C15H15F3IN3O3S and a molecular weight of 501.27 g/mol. Its IUPAC name is 2-(4-iodopyrazol-1-yl)-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-iodopyrazol-1-yl)-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]propanamide
PubChem CID167460050
Molecular FormulaC15H15F3IN3O3S
Molecular Weight501.27 g/mol
Exact Mass500.98
IUPAC Name2-(4-iodopyrazol-1-yl)-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(C(=O)Nc1ccc(C(F)(F)F)cc1S(C)(=O)=O)n1cc(I)cn1
InChIInChI=1S/C15H15F3IN3O3S/c1-14(2,22-8-10(19)7-20-22)13(23)21-11-5-4-9(15(16,17)18)6-12(11)26(3,24)25/h4-8H,1-3H3,(H,21,23)
InChIKeyJISYWGHXKKHTJR-UHFFFAOYSA-N
XLogP3.28
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-iodopyrazol-1-yl)-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[2-(4-iodopyrazol-1-yl)-2-methylpropanoyl]amino]-N-methyl-5-(trifluoromethyl)benzamide
CID 167460052
N-[2-cyclohexyl-4-(trifluoromethyl)phenyl]-2-(4-iodopyrazol-1-yl)-2-methylpropanamide
CID 167460002
(4,5-dimethylpyrazol-1-yl) 2-methylsulfonyl-4-(trifluoromethyl)benzoate
CID 174793712
N-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 55487840
N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 122158577
N-(4-bromo-2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 178180304
2-methylsulfonyl-5-(trifluoromethyl)benzoic acid
CID 26598188
CID 69303460
CID 69303460
3-ethylsulfonyl-2-(4-iodopyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 121485081
2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide
CID 66475481
potassium;2,5-dimethyl-4-[2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-1H-pyrazol-3-one;hydride
CID 173156948
2-methyl-N-[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenyl]propanamide
CID 175834547

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodopyrazol-1-yl)-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(4-iodopyrazol-1-yl)-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]propanamide (CID 167460050) is 2-(4-iodopyrazol-1-yl)-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-iodopyrazol-1-yl)-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(4-iodopyrazol-1-yl)-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]propanamide is CC(C)(C(=O)Nc1ccc(C(F)(F)F)cc1S(C)(=O)=O)n1cc(I)cn1.
What is the InChIKey of 2-(4-iodopyrazol-1-yl)-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is JISYWGHXKKHTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3IN3O3S/c1-14(2,22-8-10(19)7-20-22)13(23)21-11-5-4-9(15(16,17)18)6-12(11)26(3,24)25/h4-8H,1-3H3,(H,21,23).
What are the key properties of 2-(4-iodopyrazol-1-yl)-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]propanamide?
2-(4-iodopyrazol-1-yl)-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 501.27 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodopyrazol-1-yl)-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 167460050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).