Chemical ID: 7210365

Cc1c(c(nn1C(C)C(=O)N2CCCC2)C(F)(F)F)Cl
Chemical ID:
7210365
Name [?]:
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-yl-propan-1-one
SMILES [?]:
Cc1c(c(nn1C(C)C(=O)N2CCCC2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C12H15ClF3N3O/c1-7-9(13)10(12(14,15)16)17-19(7)8(2)11(20)18-5-3-4-6-18/h8H,3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,13,14,12,15,2,7,3,4,9,16,20,17,18,19,5,11,6,10/E:(3,4)(5,6)(14,15,16)/rA:20cCCCCNNCCCONCCCCCFFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;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:1
ZAP Information [?]
Total:7.96677
Area:453.336
Solvation:-3.36663
Coulombic:-40.0509
Bond Count [?]
All:21
Single:18
Double:3
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:309.715
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.56
LogP (Chemaxon):2.17

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