5-[4-(trifluoromethylsulfonyl)anilino]-1H-pyrazole-4-carboxamide

C11H9F3N4O3S — CID 89473446

IUPAC5-[4-(trifluoromethylsulfonyl)anilino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1Nc1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H9F3N4O3S/c12-11(13,14)22(20,21)7-3-1-6(2-4-7)17-10-8(9(15)19)5-16-18-10/h1-5H,(H2,15,19)(H2,16,17,18)
InChIKeyOYJGPFZUCYGVOB-UHFFFAOYSA-N
MW334.28 g/mol
LogP1.55
Rot. Bonds4

About 5-[4-(trifluoromethylsulfonyl)anilino]-1H-pyrazole-4-carboxamide

5-[4-(trifluoromethylsulfonyl)anilino]-1H-pyrazole-4-carboxamide (PubChem CID 89473446) has the molecular formula C11H9F3N4O3S and a molecular weight of 334.28 g/mol. Its IUPAC name is 5-[4-(trifluoromethylsulfonyl)anilino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-(trifluoromethylsulfonyl)anilino]-1H-pyrazole-4-carboxamide
PubChem CID89473446
Molecular FormulaC11H9F3N4O3S
Molecular Weight334.28 g/mol
Exact Mass334.03
IUPAC Name5-[4-(trifluoromethylsulfonyl)anilino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1Nc1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H9F3N4O3S/c12-11(13,14)22(20,21)7-3-1-6(2-4-7)17-10-8(9(15)19)5-16-18-10/h1-5H,(H2,15,19)(H2,16,17,18)
InChIKeyOYJGPFZUCYGVOB-UHFFFAOYSA-N
XLogP1.55
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[4-(trifluoromethylsulfonyl)anilino]-1H-pyrazole-4-carboxamide 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 5-[4-(trifluoromethylsulfonyl)anilino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[4-(trifluoromethylsulfonyl)anilino]-1H-pyrazole-4-carboxamide (CID 89473446) is 5-[4-(trifluoromethylsulfonyl)anilino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[4-(trifluoromethylsulfonyl)anilino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[4-(trifluoromethylsulfonyl)anilino]-1H-pyrazole-4-carboxamide is NC(=O)c1cn[nH]c1Nc1ccc(S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of 5-[4-(trifluoromethylsulfonyl)anilino]-1H-pyrazole-4-carboxamide?
The InChIKey is OYJGPFZUCYGVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O3S/c12-11(13,14)22(20,21)7-3-1-6(2-4-7)17-10-8(9(15)19)5-16-18-10/h1-5H,(H2,15,19)(H2,16,17,18).
What are the key properties of 5-[4-(trifluoromethylsulfonyl)anilino]-1H-pyrazole-4-carboxamide?
5-[4-(trifluoromethylsulfonyl)anilino]-1H-pyrazole-4-carboxamide has a molecular weight of 334.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethylsulfonyl)anilino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 89473446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).