ChemDB: Chemical Search
Download
Chemical ID: 7157748
Chemical ID:
7157748
Name [?]:
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,2,2-trimethylpropyl)propanamide
SMILES [?]:
Cc1cc(nn1C(C)C(=O)NC(C)C(C)(C)C)C(F)(F)F
InChi [?]:
InChI=1/C14H22F3N3O/c1-8-7-11(14(15,16)17)19-20(8)9(2)12(21)18-10(3)13(4,5)6/h7,9-10H,1-6H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,8,13,15,16,17,3,2,7,12,4,9,14,18,19,20,21,11,5,6,10/E:(4,5,6)(15,16,17)/rA:21cCCCCNNCCCONCCCCCCCFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s12;s14;s14;s14;s4;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22F3N3O |
All Atoms: | 43 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.66459 |
Area: | 486.29 |
Solvation: | -3.49266 |
Coulombic: | -45.0378 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 305.339 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.31 |
LogP (Chemaxon): | 3.21 |
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 |
---|