3-amino-1,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazole-4-sulfonamide

C9H15F3N4O2S — CID 105359160

IUPAC3-amino-1,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCCCC(F)(F)F)c(N)nn1C
InChIInChI=1S/C9H15F3N4O2S/c1-6-7(8(13)15-16(6)2)19(17,18)14-5-3-4-9(10,11)12/h14H,3-5H2,1-2H3,(H2,13,15)
InChIKeyIAFVMKKDJSXAGJ-UHFFFAOYSA-N
MW300.31 g/mol
LogP0.93
Rot. Bonds5

About 3-amino-1,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazole-4-sulfonamide

3-amino-1,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazole-4-sulfonamide (PubChem CID 105359160) has the molecular formula C9H15F3N4O2S and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-amino-1,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazole-4-sulfonamide
PubChem CID105359160
Molecular FormulaC9H15F3N4O2S
Molecular Weight300.31 g/mol
Exact Mass300.09
IUPAC Name3-amino-1,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCCCC(F)(F)F)c(N)nn1C
InChIInChI=1S/C9H15F3N4O2S/c1-6-7(8(13)15-16(6)2)19(17,18)14-5-3-4-9(10,11)12/h14H,3-5H2,1-2H3,(H2,13,15)
InChIKeyIAFVMKKDJSXAGJ-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-amino-1,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminopropyl)-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 19621226
1-(3-aminopropyl)-N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 65774931
1-(3-aminopropyl)-3,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 65797269
1-(3-aminopropyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 65801480
N-(4-amino-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83068393
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-1,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazole-4-sulfonamide (CID 105359160) is 3-amino-1,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NCCCC(F)(F)F)c(N)nn1C.
What is the InChIKey of 3-amino-1,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazole-4-sulfonamide?
The InChIKey is IAFVMKKDJSXAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O2S/c1-6-7(8(13)15-16(6)2)19(17,18)14-5-3-4-9(10,11)12/h14H,3-5H2,1-2H3,(H2,13,15).
What are the key properties of 3-amino-1,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazole-4-sulfonamide?
3-amino-1,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazole-4-sulfonamide has a molecular weight of 300.31 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 105359160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).