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

C9H16F2N4O3S — CID 107478051

IUPAC3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(CCO)CC(F)F)c(N)nn1C
InChIInChI=1S/C9H16F2N4O3S/c1-6-8(9(12)13-14(6)2)19(17,18)15(3-4-16)5-7(10)11/h7,16H,3-5H2,1-2H3,(H2,12,13)
InChIKeyWKWAZTAFLQIECV-UHFFFAOYSA-N
MW298.31 g/mol
LogP-0.44
Rot. Bonds6

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

3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 107478051) has the molecular formula C9H16F2N4O3S and a molecular weight of 298.31 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID107478051
Molecular FormulaC9H16F2N4O3S
Molecular Weight298.31 g/mol
Exact Mass298.09
IUPAC Name3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(CCO)CC(F)F)c(N)nn1C
InChIInChI=1S/C9H16F2N4O3S/c1-6-8(9(12)13-14(6)2)19(17,18)15(3-4-16)5-7(10)11/h7,16H,3-5H2,1-2H3,(H2,12,13)
InChIKeyWKWAZTAFLQIECV-UHFFFAOYSA-N
XLogP-0.44
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-hydroxyethyl)-N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 65729403
1-(2-hydroxyethyl)-N,3,5-trimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 65733769
N-ethyl-1-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 65736068
1-(2-hydroxyethyl)-3,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 65738211
1-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 65743448
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 107478051) is 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)N(CCO)CC(F)F)c(N)nn1C.
What is the InChIKey of 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is WKWAZTAFLQIECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N4O3S/c1-6-8(9(12)13-14(6)2)19(17,18)15(3-4-16)5-7(10)11/h7,16H,3-5H2,1-2H3,(H2,12,13).
What are the key properties of 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 298.31 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 107478051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).