2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethylazanium

C8H12F3N4O+ — CID 7017756

IUPAC2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethylazanium
SMILES[NH3+]CCNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)6-1-4-15(14-6)5-7(16)13-3-2-12/h1,4H,2-3,5,12H2,(H,13,16)/p+1
InChIKeySLZZQFWMEWGLIU-UHFFFAOYSA-O
MW237.20 g/mol
LogP-0.74
Rot. Bonds4

About 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethylazanium

2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethylazanium (PubChem CID 7017756) has the molecular formula C8H12F3N4O+ and a molecular weight of 237.20 g/mol. Its IUPAC name is 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethylazanium.

Molecular Properties

Compound Name2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethylazanium
PubChem CID7017756
Molecular FormulaC8H12F3N4O+
Molecular Weight237.20 g/mol
Exact Mass237.10
IUPAC Name2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethylazanium
SMILES[NH3+]CCNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)6-1-4-15(14-6)5-7(16)13-3-2-12/h1,4H,2-3,5,12H2,(H,13,16)/p+1
InChIKeySLZZQFWMEWGLIU-UHFFFAOYSA-O
XLogP-0.74
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethylazanium 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 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethylazanium?
The IUPAC name of 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethylazanium (CID 7017756) is 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethylazanium.
What is the SMILES notation for 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethylazanium?
The canonical SMILES for 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethylazanium is [NH3+]CCNC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethylazanium?
The InChIKey is SLZZQFWMEWGLIU-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H11F3N4O/c9-8(10,11)6-1-4-15(14-6)5-7(16)13-3-2-12/h1,4H,2-3,5,12H2,(H,13,16)/p+1.
What are the key properties of 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethylazanium?
2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethylazanium has a molecular weight of 237.20 g/mol, XLogP of -0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethylazanium is sourced from PubChem (CID 7017756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).