Chemical ID: 7156766

Cc1cc(nn1C(C)C(=O)N2CCC(CC2)C)C(F)(F)F
Chemical ID:
7156766
Name [?]:
1-(4-methyl-1-piperidyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propan-1-one
SMILES [?]:
Cc1cc(nn1C(C)C(=O)N2CCC(CC2)C)C(F)(F)F
InChi [?]:
InChI=1/C14H20F3N3O/c1-9-4-6-19(7-5-9)13(21)11(3)20-10(2)8-12(18-20)14(15,16)17/h8-9,11H,4-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:17,1,8,13,15,12,16,3,14,2,7,4,9,18,19,20,21,5,11,6,10/E:(4,5)(6,7)(15,16,17)/rA:21cCCCCNNCCCONCCCCCCCFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s13;s14;s11s15;s14;s4;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20F3N3O
All Atoms:41
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:8.02671
Area:468.809
Solvation:-3.69352
Coulombic:-39.7491
Bond Count [?]
All:22
Single:19
Double:3
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:303.323
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.89
LogP (Chemaxon):2.38

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