Chemical ID: 7212283

Cc1c(c(nn1CCC(=O)N2CCCC2)C(F)(F)F)Cl
Chemical ID:
7212283
Name [?]:
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-yl-propan-1-one
SMILES [?]:
Cc1c(c(nn1CCC(=O)N2CCCC2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C12H15ClF3N3O/c1-8-10(13)11(12(14,15)16)17-19(8)7-4-9(20)18-5-2-3-6-18/h2-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,8,12,15,7,2,9,3,4,16,20,17,18,19,5,11,6,10/E:(2,3)(5,6)(14,15,16)/rA:20nCCCCNNCCCONCCCCCFFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;d9;s9;s11;s12;s13;s11s14;s4;s16;s16;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15ClF3N3O
All Atoms:35
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.92246
Area:473.035
Solvation:-2.90343
Coulombic:-38.9564
Bond Count [?]
All:21
Single:18
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:309.715
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.19
LogP (Chemaxon):1.81

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