5-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyrazole-4-carboxamide

C11H9F3N4O3S — CID 175919148

IUPAC5-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1-c1ccc(NS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H9F3N4O3S/c12-11(13,14)22(20,21)18-7-3-1-6(2-4-7)9-8(10(15)19)5-16-17-9/h1-5,18H,(H2,15,19)(H,16,17)
InChIKeyLJLJLOPBZWGBEY-UHFFFAOYSA-N
MW334.28 g/mol
LogP1.44
Rot. Bonds4

About 5-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyrazole-4-carboxamide

5-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 175919148) has the molecular formula C11H9F3N4O3S and a molecular weight of 334.28 g/mol. Its IUPAC name is 5-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID175919148
Molecular FormulaC11H9F3N4O3S
Molecular Weight334.28 g/mol
Exact Mass334.03
IUPAC Name5-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1-c1ccc(NS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H9F3N4O3S/c12-11(13,14)22(20,21)18-7-3-1-6(2-4-7)9-8(10(15)19)5-16-17-9/h1-5,18H,(H2,15,19)(H,16,17)
InChIKeyLJLJLOPBZWGBEY-UHFFFAOYSA-N
XLogP1.44
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyrazole-4-carboxamide (CID 175919148) is 5-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyrazole-4-carboxamide is NC(=O)c1cn[nH]c1-c1ccc(NS(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of 5-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is LJLJLOPBZWGBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O3S/c12-11(13,14)22(20,21)18-7-3-1-6(2-4-7)9-8(10(15)19)5-16-17-9/h1-5,18H,(H2,15,19)(H,16,17).
What are the key properties of 5-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyrazole-4-carboxamide?
5-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 334.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 175919148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).