3-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide

C7H11F3N4O2S — CID 55174165

IUPAC3-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCC(F)(F)F)c(N)n1
InChIInChI=1S/C7H11F3N4O2S/c1-14-4-5(6(11)13-14)17(15,16)12-3-2-7(8,9)10/h4,12H,2-3H2,1H3,(H2,11,13)
InChIKeyOCQUQGLREMCMLD-UHFFFAOYSA-N
MW272.25 g/mol
LogP0.23
Rot. Bonds4

About 3-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide

3-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide (PubChem CID 55174165) has the molecular formula C7H11F3N4O2S and a molecular weight of 272.25 g/mol. Its IUPAC name is 3-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
PubChem CID55174165
Molecular FormulaC7H11F3N4O2S
Molecular Weight272.25 g/mol
Exact Mass272.06
IUPAC Name3-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCC(F)(F)F)c(N)n1
InChIInChI=1S/C7H11F3N4O2S/c1-14-4-5(6(11)13-14)17(15,16)12-3-2-7(8,9)10/h4,12H,2-3H2,1H3,(H2,11,13)
InChIKeyOCQUQGLREMCMLD-UHFFFAOYSA-N
XLogP0.23
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(difluoromethyl)-1H-pyrazole-4-sulfonamide
CID 81341145
1-methyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 43258985
3-amino-1-methyl-1H-pyrazole-4-sulfonyl fluoride
CID 137949482
5-Amino-1-(difluoromethyl)pyrazole-4-sulfonyl chloride
CID 155193304
1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4-sulfonamide
CID 47038232
3-amino-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 55006605
3-amino-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 55006939
3-amino-N,1-diethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 55006940
3-amino-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60809738
3-amino-1-ethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60809899
3-amino-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60809900
3-amino-N,1-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60892700

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide (CID 55174165) is 3-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCCC(F)(F)F)c(N)n1.
What is the InChIKey of 3-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide?
The InChIKey is OCQUQGLREMCMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4O2S/c1-14-4-5(6(11)13-14)17(15,16)12-3-2-7(8,9)10/h4,12H,2-3H2,1H3,(H2,11,13).
What are the key properties of 3-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide?
3-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide has a molecular weight of 272.25 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 55174165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).