ChemDB: Chemical Search
Download
Chemical ID: 7212847
Chemical ID:
7212847
Name [?]:
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-yl)-propanamide
SMILES [?]:
CC1(CC(CC([NH2+]1)(C)C)NC(=O)CCn2c(cc(n2)C(F)(F)F)C3CC3)C
InChi [?]:
InChI=1/C19H29F3N4O/c1-17(2)10-13(11-18(3,4)25-17)23-16(27)7-8-26-14(12-5-6-12)9-15(24-26)19(20,21)22/h9,12-13,25H,5-8,10-11H2,1-4H3,(H,23,27)/p+1
InChi Info:
AuxInfo=1/1/N:1,27,8,9,25,26,13,14,17,3,5,24,4,16,18,11,2,6,20,21,22,23,10,19,7,15,12/E:(1,2,3,4)(5,6)(10,11)(17,18)(20,21,22)/rA:27nCCCCCCN+CCNCOCCNCCCNCFFFCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s6;s4;s10;d11;s11;s13;s14;s15;d16;s17;s15d18;s18;s20;s20;s20;s16;s24;s24s25;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H30F3N4O+ |
All Atoms: | 57 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -17.6654 |
Area: | 601.019 |
Solvation: | -32.6909 |
Coulombic: | -10.1521 |
Bond Count [?]
All: | 29 |
Single: | 26 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 387.463 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 3.12 |
LogP (Chemaxon): | 1.69 |
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 |
---|