Chemical ID: 7154222

Cc1cc(nn1C(C)C(=O)N2CCCC2)C(F)(F)F
Chemical ID:
7154222
Name [?]:
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-yl-propan-1-one
SMILES [?]:
Cc1cc(nn1C(C)C(=O)N2CCCC2)C(F)(F)F
InChi [?]:
InChI=1/C12H16F3N3O/c1-8-7-10(12(13,14)15)16-18(8)9(2)11(19)17-5-3-4-6-17/h7,9H,3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,13,14,12,15,3,2,7,4,9,16,17,18,19,5,11,6,10/E:(3,4)(5,6)(13,14,15)/rA:19cCCCCNNCCCONCCCCCFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s13;s11s14;s4;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16F3N3O
All Atoms:35
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:7.05956
Area:431.178
Solvation:-3.71988
Coulombic:-39.2001
Bond Count [?]
All:20
Single:17
Double:3
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:275.27
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.02
LogP (Chemaxon):1.65

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