3-amino-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

C8H13F3N4O2S — CID 60809900

IUPAC3-amino-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC(F)(F)F)c(N)n1
InChIInChI=1S/C8H13F3N4O2S/c1-2-3-15-4-6(7(12)14-15)18(16,17)13-5-8(9,10)11/h4,13H,2-3,5H2,1H3,(H2,12,14)
InChIKeyZQVYHHSIFXMWOZ-UHFFFAOYSA-N
MW286.28 g/mol
LogP0.72
Rot. Bonds5

About 3-amino-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

3-amino-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (PubChem CID 60809900) has the molecular formula C8H13F3N4O2S and a molecular weight of 286.28 g/mol. Its IUPAC name is 3-amino-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
PubChem CID60809900
Molecular FormulaC8H13F3N4O2S
Molecular Weight286.28 g/mol
Exact Mass286.07
IUPAC Name3-amino-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC(F)(F)F)c(N)n1
InChIInChI=1S/C8H13F3N4O2S/c1-2-3-15-4-6(7(12)14-15)18(16,17)13-5-8(9,10)11/h4,13H,2-3,5H2,1H3,(H2,12,14)
InChIKeyZQVYHHSIFXMWOZ-UHFFFAOYSA-N
XLogP0.72
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 81339718
3-amino-1-methyl-1H-pyrazole-4-sulfonyl fluoride
CID 137949482
1-(3-fluoropropyl)-N,N-dimethylpyrazole-4-sulfonamide
CID 132383272
1-(2,2-difluoroethyl)-1H-pyrazole-4-sulfonamide
CID 75355935
5-Amino-1-(difluoromethyl)pyrazole-4-sulfonyl chloride
CID 155193304
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-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 55174165
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-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-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (CID 60809900) is 3-amino-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCC(F)(F)F)c(N)n1.
What is the InChIKey of 3-amino-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is ZQVYHHSIFXMWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4O2S/c1-2-3-15-4-6(7(12)14-15)18(16,17)13-5-8(9,10)11/h4,13H,2-3,5H2,1H3,(H2,12,14).
What are the key properties of 3-amino-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
3-amino-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 286.28 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 60809900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).