Chemical ID: 7154768

Cc1c(c(nn1C(C)C(=O)N2CCCC(C2)C)C(F)(F)F)Cl
Chemical ID:
7154768
Name [?]:
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3-methyl-1-piperidyl)-propan-1-one
SMILES [?]:
Cc1c(c(nn1C(C)C(=O)N2CCCC(C2)C)C(F)(F)F)Cl
InChi [?]:
InChI=1/C14H19ClF3N3O/c1-8-5-4-6-20(7-8)13(22)10(3)21-9(2)11(15)12(19-21)14(16,17)18/h8,10H,4-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:17,1,8,13,14,12,16,15,2,7,3,4,9,18,22,19,20,21,5,11,6,10/E:(16,17,18)/rA:22cCCCCNNCCCONCCCCCCCFFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s13;s14;s11s15;s15;s4;s18;s18;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19ClF3N3O
All Atoms:41
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:8.98308
Area:493.265
Solvation:-3.34853
Coulombic:-40.4015
Bond Count [?]
All:23
Single:20
Double:3
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:337.768
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.22
LogP (Chemaxon):2.97

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