N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide

C11H9F2N3O3S — CID 61259547

IUPACN-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1S(=O)(=O)C(F)F)c1cn[nH]c1
InChIInChI=1S/C11H9F2N3O3S/c12-11(13)20(18,19)9-4-2-1-3-8(9)16-10(17)7-5-14-15-6-7/h1-6,11H,(H,14,15)(H,16,17)
InChIKeyUCRRIIQDVQQETD-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.66
Rot. Bonds4

About N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide

N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 61259547) has the molecular formula C11H9F2N3O3S and a molecular weight of 301.27 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID61259547
Molecular FormulaC11H9F2N3O3S
Molecular Weight301.27 g/mol
Exact Mass301.03
IUPAC NameN-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1S(=O)(=O)C(F)F)c1cn[nH]c1
InChIInChI=1S/C11H9F2N3O3S/c12-11(13)20(18,19)9-4-2-1-3-8(9)16-10(17)7-5-14-15-6-7/h1-6,11H,(H,14,15)(H,16,17)
InChIKeyUCRRIIQDVQQETD-UHFFFAOYSA-N
XLogP1.66
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(difluoromethylsulfonyl)phenyl]-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 N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (CID 61259547) is N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide is O=C(Nc1ccccc1S(=O)(=O)C(F)F)c1cn[nH]c1.
What is the InChIKey of N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is UCRRIIQDVQQETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O3S/c12-11(13)20(18,19)9-4-2-1-3-8(9)16-10(17)7-5-14-15-6-7/h1-6,11H,(H,14,15)(H,16,17).
What are the key properties of N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide?
N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 301.27 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61259547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).