1-amino-3-(difluoromethylsulfonyl)-N-phenylpyrazole-4-carboxamide

C11H10F2N4O3S — CID 89462230

IUPAC1-amino-3-(difluoromethylsulfonyl)-N-phenylpyrazole-4-carboxamide
SMILESNn1cc(C(=O)Nc2ccccc2)c(S(=O)(=O)C(F)F)n1
InChIInChI=1S/C11H10F2N4O3S/c12-11(13)21(19,20)10-8(6-17(14)16-10)9(18)15-7-4-2-1-3-5-7/h1-6,11H,14H2,(H,15,18)
InChIKeyYGHXIALOGNZDNN-UHFFFAOYSA-N
MW316.29 g/mol
LogP0.85
Rot. Bonds4

About 1-amino-3-(difluoromethylsulfonyl)-N-phenylpyrazole-4-carboxamide

1-amino-3-(difluoromethylsulfonyl)-N-phenylpyrazole-4-carboxamide (PubChem CID 89462230) has the molecular formula C11H10F2N4O3S and a molecular weight of 316.29 g/mol. Its IUPAC name is 1-amino-3-(difluoromethylsulfonyl)-N-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-amino-3-(difluoromethylsulfonyl)-N-phenylpyrazole-4-carboxamide
PubChem CID89462230
Molecular FormulaC11H10F2N4O3S
Molecular Weight316.29 g/mol
Exact Mass316.04
IUPAC Name1-amino-3-(difluoromethylsulfonyl)-N-phenylpyrazole-4-carboxamide
SMILESNn1cc(C(=O)Nc2ccccc2)c(S(=O)(=O)C(F)F)n1
InChIInChI=1S/C11H10F2N4O3S/c12-11(13)21(19,20)10-8(6-17(14)16-10)9(18)15-7-4-2-1-3-5-7/h1-6,11H,14H2,(H,15,18)
InChIKeyYGHXIALOGNZDNN-UHFFFAOYSA-N
XLogP0.85
TPSA107.08 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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(difluoromethylsulfonyl)-N-phenylpyrazole-4-carboxamide?
The IUPAC name of 1-amino-3-(difluoromethylsulfonyl)-N-phenylpyrazole-4-carboxamide (CID 89462230) is 1-amino-3-(difluoromethylsulfonyl)-N-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 1-amino-3-(difluoromethylsulfonyl)-N-phenylpyrazole-4-carboxamide?
The canonical SMILES for 1-amino-3-(difluoromethylsulfonyl)-N-phenylpyrazole-4-carboxamide is Nn1cc(C(=O)Nc2ccccc2)c(S(=O)(=O)C(F)F)n1.
What is the InChIKey of 1-amino-3-(difluoromethylsulfonyl)-N-phenylpyrazole-4-carboxamide?
The InChIKey is YGHXIALOGNZDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O3S/c12-11(13)21(19,20)10-8(6-17(14)16-10)9(18)15-7-4-2-1-3-5-7/h1-6,11H,14H2,(H,15,18).
What are the key properties of 1-amino-3-(difluoromethylsulfonyl)-N-phenylpyrazole-4-carboxamide?
1-amino-3-(difluoromethylsulfonyl)-N-phenylpyrazole-4-carboxamide has a molecular weight of 316.29 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(difluoromethylsulfonyl)-N-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 89462230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).