N-[2-(4-aminopyrazol-1-yl)ethyl]-4,4,4-trifluorobutane-1-sulfonamide

C9H15F3N4O2S — CID 83068759

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESNc1cnn(CCNS(=O)(=O)CCCC(F)(F)F)c1
InChIInChI=1S/C9H15F3N4O2S/c10-9(11,12)2-1-5-19(17,18)15-3-4-16-7-8(13)6-14-16/h6-7,15H,1-5,13H2
InChIKeyNMAOGNZTQQRUOF-UHFFFAOYSA-N
MW300.31 g/mol
LogP0.73
Rot. Bonds7

About N-[2-(4-aminopyrazol-1-yl)ethyl]-4,4,4-trifluorobutane-1-sulfonamide

N-[2-(4-aminopyrazol-1-yl)ethyl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83068759) has the molecular formula C9H15F3N4O2S and a molecular weight of 300.31 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83068759
Molecular FormulaC9H15F3N4O2S
Molecular Weight300.31 g/mol
Exact Mass300.09
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESNc1cnn(CCNS(=O)(=O)CCCC(F)(F)F)c1
InChIInChI=1S/C9H15F3N4O2S/c10-9(11,12)2-1-5-19(17,18)15-3-4-16-7-8(13)6-14-16/h6-7,15H,1-5,13H2
InChIKeyNMAOGNZTQQRUOF-UHFFFAOYSA-N
XLogP0.73
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-aminopyrazol-1-yl)ethyl]-4,4,4-trifluorobutane-1-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-4,4,4-trifluorobutane-1-sulfonamide (CID 83068759) is N-[2-(4-aminopyrazol-1-yl)ethyl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-4,4,4-trifluorobutane-1-sulfonamide is Nc1cnn(CCNS(=O)(=O)CCCC(F)(F)F)c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is NMAOGNZTQQRUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O2S/c10-9(11,12)2-1-5-19(17,18)15-3-4-16-7-8(13)6-14-16/h6-7,15H,1-5,13H2.
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 300.31 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83068759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).