N-(4-amino-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide

C9H15F3N4O2S — CID 83068393

IUPACN-(4-amino-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCc1nn(C)c(NS(=O)(=O)CCCC(F)(F)F)c1N
InChIInChI=1S/C9H15F3N4O2S/c1-6-7(13)8(16(2)14-6)15-19(17,18)5-3-4-9(10,11)12/h15H,3-5,13H2,1-2H3
InChIKeyIVZKZVPUADYPTD-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.39
Rot. Bonds5

About N-(4-amino-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide

N-(4-amino-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83068393) has the molecular formula C9H15F3N4O2S and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(4-amino-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83068393
Molecular FormulaC9H15F3N4O2S
Molecular Weight300.31 g/mol
Exact Mass300.09
IUPAC NameN-(4-amino-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCc1nn(C)c(NS(=O)(=O)CCCC(F)(F)F)c1N
InChIInChI=1S/C9H15F3N4O2S/c1-6-7(13)8(16(2)14-6)15-19(17,18)5-3-4-9(10,11)12/h15H,3-5,13H2,1-2H3
InChIKeyIVZKZVPUADYPTD-UHFFFAOYSA-N
XLogP1.39
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(4-amino-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83068393) is N-(4-amino-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(4-amino-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(4-amino-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide is Cc1nn(C)c(NS(=O)(=O)CCCC(F)(F)F)c1N.
What is the InChIKey of N-(4-amino-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is IVZKZVPUADYPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O2S/c1-6-7(13)8(16(2)14-6)15-19(17,18)5-3-4-9(10,11)12/h15H,3-5,13H2,1-2H3.
What are the key properties of N-(4-amino-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(4-amino-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 300.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83068393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).