3-amino-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-4-sulfonamide

C7H12F2N4O2S — CID 105359159

IUPAC3-amino-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCC(F)F)c(N)nn1C
InChIInChI=1S/C7H12F2N4O2S/c1-4-6(7(10)12-13(4)2)16(14,15)11-3-5(8)9/h5,11H,3H2,1-2H3,(H2,10,12)
InChIKeyUXDYGVBPYNCILK-UHFFFAOYSA-N
MW254.26 g/mol
LogP-0.15
Rot. Bonds4

About 3-amino-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-4-sulfonamide

3-amino-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 105359159) has the molecular formula C7H12F2N4O2S and a molecular weight of 254.26 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID105359159
Molecular FormulaC7H12F2N4O2S
Molecular Weight254.26 g/mol
Exact Mass254.06
IUPAC Name3-amino-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCC(F)F)c(N)nn1C
InChIInChI=1S/C7H12F2N4O2S/c1-4-6(7(10)12-13(4)2)16(14,15)11-3-5(8)9/h5,11H,3H2,1-2H3,(H2,10,12)
InChIKeyUXDYGVBPYNCILK-UHFFFAOYSA-N
XLogP-0.15
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-1,3-dimethylpyrazol-5-yl)methanesulfonamide
CID 89793750
N-(3-aminopropyl)-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 19621226
3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358452
3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358505
3-amino-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358506
3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358515
3-amino-1,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358547
3-amino-N-(2-hydroxyethyl)-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358606
1,5-Dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
CID 105358655
3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358766
3-amino-N-cyclopropyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358767
3-amino-1,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 105358902

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 105359159) is 3-amino-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NCC(F)F)c(N)nn1C.
What is the InChIKey of 3-amino-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is UXDYGVBPYNCILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N4O2S/c1-4-6(7(10)12-13(4)2)16(14,15)11-3-5(8)9/h5,11H,3H2,1-2H3,(H2,10,12).
What are the key properties of 3-amino-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 254.26 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105359159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).