ChemDB: Chemical Search
Download
Chemical ID: 7220365
Chemical ID:
7220365
Name [?]:
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(tetrahydrofuran-2-ylmethyl)propanamide
SMILES [?]:
Cc1c(c(nn1CCC(=O)NCC2CCCO2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C13H17ClF3N3O2/c1-8-11(14)12(13(15,16)17)19-20(8)5-4-10(21)18-7-9-3-2-6-22-9/h9H,2-7H2,1H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,15,14,8,7,16,12,2,13,9,3,4,18,22,19,20,21,11,5,6,10,17/E:(15,16,17)/rA:22cCCCCNNCCCONCCCCCOCFFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s13s16;s4;s18;s18;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17ClF3N3O2 |
All Atoms: | 39 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.89396 |
Area: | 522.08 |
Solvation: | -4.15803 |
Coulombic: | -51.3867 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 339.741 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.9 |
LogP (Chemaxon): | 1.47 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|