Chemical ID: 7211597

Cc1cc(nn1C(C)C(=O)N2CCCC(C2)C)C(F)(F)F
Chemical ID:
7211597
Name [?]:
1-(3-methyl-1-piperidyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propan-1-one
SMILES [?]:
Cc1cc(nn1C(C)C(=O)N2CCCC(C2)C)C(F)(F)F
InChi [?]:
InChI=1/C14H20F3N3O/c1-9-5-4-6-19(8-9)13(21)11(3)20-10(2)7-12(18-20)14(15,16)17/h7,9,11H,4-6,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:17,1,8,13,14,12,3,16,15,2,7,4,9,18,19,20,21,5,11,6,10/E:(15,16,17)/rA:21cCCCCNNCCCONCCCCCCCFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s13;s14;s11s15;s15;s4;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20F3N3O
All Atoms:41
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:7.91149
Area:457.806
Solvation:-3.53367
Coulombic:-40.2513
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:2.68
LogP (Chemaxon):2.45

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