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

C8H14F2N4O3S — CID 106165579

IUPAC3-amino-N-(2,2-difluoro-3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCC(F)(F)CO)c(N)nn1C
InChIInChI=1S/C8H14F2N4O3S/c1-5-6(7(11)13-14(5)2)18(16,17)12-3-8(9,10)4-15/h12,15H,3-4H2,1-2H3,(H2,11,13)
InChIKeyRJUXASXFZLCCJQ-UHFFFAOYSA-N
MW284.29 g/mol
LogP-0.78
Rot. Bonds5

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

3-amino-N-(2,2-difluoro-3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 106165579) has the molecular formula C8H14F2N4O3S and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoro-3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID106165579
Molecular FormulaC8H14F2N4O3S
Molecular Weight284.29 g/mol
Exact Mass284.08
IUPAC Name3-amino-N-(2,2-difluoro-3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCC(F)(F)CO)c(N)nn1C
InChIInChI=1S/C8H14F2N4O3S/c1-5-6(7(11)13-14(5)2)18(16,17)12-3-8(9,10)4-15/h12,15H,3-4H2,1-2H3,(H2,11,13)
InChIKeyRJUXASXFZLCCJQ-UHFFFAOYSA-N
XLogP-0.78
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-hydroxypropyl)-3,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 65740343
1-(3-hydroxypropyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 65742649
N-(2,2-difluoro-3-hydroxypropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 104858782
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
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-difluoro-3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 106165579) is 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NCC(F)(F)CO)c(N)nn1C.
What is the InChIKey of 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is RJUXASXFZLCCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N4O3S/c1-5-6(7(11)13-14(5)2)18(16,17)12-3-8(9,10)4-15/h12,15H,3-4H2,1-2H3,(H2,11,13).
What are the key properties of 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 284.29 g/mol, XLogP of -0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 106165579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).