Chemical ID: 7212847

CC1(CC(CC([NH2+]1)(C)C)NC(=O)CCn2c(cc(n2)C(F)(F)F)C3CC3)C
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue