1-amino-3-[2-(difluoromethylsulfonyl)phenyl]pyrazole-4-carboxamide

C11H10F2N4O3S — CID 89462231

IUPAC1-amino-3-[2-(difluoromethylsulfonyl)phenyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cn(N)nc1-c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C11H10F2N4O3S/c12-11(13)21(19,20)8-4-2-1-3-6(8)9-7(10(14)18)5-17(15)16-9/h1-5,11H,15H2,(H2,14,18)
InChIKeyRGABEVFOGFXDPR-UHFFFAOYSA-N
MW316.29 g/mol
LogP0.36
Rot. Bonds4

About 1-amino-3-[2-(difluoromethylsulfonyl)phenyl]pyrazole-4-carboxamide

1-amino-3-[2-(difluoromethylsulfonyl)phenyl]pyrazole-4-carboxamide (PubChem CID 89462231) has the molecular formula C11H10F2N4O3S and a molecular weight of 316.29 g/mol. Its IUPAC name is 1-amino-3-[2-(difluoromethylsulfonyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-amino-3-[2-(difluoromethylsulfonyl)phenyl]pyrazole-4-carboxamide
PubChem CID89462231
Molecular FormulaC11H10F2N4O3S
Molecular Weight316.29 g/mol
Exact Mass316.04
IUPAC Name1-amino-3-[2-(difluoromethylsulfonyl)phenyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cn(N)nc1-c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C11H10F2N4O3S/c12-11(13)21(19,20)8-4-2-1-3-6(8)9-7(10(14)18)5-17(15)16-9/h1-5,11H,15H2,(H2,14,18)
InChIKeyRGABEVFOGFXDPR-UHFFFAOYSA-N
XLogP0.36
TPSA121.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-1H-pyrazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone
CID 68527741
1-Amino-5-(difluoromethylsulfonyl)-3-phenylpyrazole-4-carboxamide
CID 89462232
1-Amino-3-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 89463971
3-(4-Fluorophenyl)-1-methylsulfonylpyrazole-4-carboxamide
CID 135220005
1-[4-(Trifluoromethylsulfonyl)anilino]pyrazole-4-carboxamide
CID 140651566
[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-(1H-pyrazol-4-yl)methanone
CID 141309804
[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-(1H-pyrazol-5-yl)methanone
CID 144607629
2-(5-cyclopropyl-1H-pyrazol-4-yl)-1-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]ethanone
CID 173297255
5-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyrazole-4-carboxamide
CID 175919148
(2-methylsulfonylphenyl)-[2-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]pyrazolidin-1-yl]methanone
CID 3354298
2-(4-methylsulfonylphenyl)-1-[2-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]pyrazolidin-1-yl]ethanone
CID 3689464
N'-(4-methylsulfonylbenzoyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 56302364

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-(difluoromethylsulfonyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-amino-3-[2-(difluoromethylsulfonyl)phenyl]pyrazole-4-carboxamide (CID 89462231) is 1-amino-3-[2-(difluoromethylsulfonyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-amino-3-[2-(difluoromethylsulfonyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-amino-3-[2-(difluoromethylsulfonyl)phenyl]pyrazole-4-carboxamide is NC(=O)c1cn(N)nc1-c1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 1-amino-3-[2-(difluoromethylsulfonyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is RGABEVFOGFXDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O3S/c12-11(13)21(19,20)8-4-2-1-3-6(8)9-7(10(14)18)5-17(15)16-9/h1-5,11H,15H2,(H2,14,18).
What are the key properties of 1-amino-3-[2-(difluoromethylsulfonyl)phenyl]pyrazole-4-carboxamide?
1-amino-3-[2-(difluoromethylsulfonyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 316.29 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(difluoromethylsulfonyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 89462231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).