Chemical ID: 7151962

Cn1c(c(c(n1)C(=O)N2CCCC2)Cl)C(F)(F)F
Chemical ID:
7151962
Name [?]:
[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-pyrrolidin-1-yl-methanone
SMILES [?]:
Cn1c(c(c(n1)C(=O)N2CCCC2)Cl)C(F)(F)F
InChi [?]:
InChI=1/C10H11ClF3N3O/c1-16-8(10(12,13)14)6(11)7(15-16)9(18)17-4-2-3-5-17/h2-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,10,13,4,5,3,7,15,14,16,17,18,6,2,9,8/E:(2,3)(4,5)(12,13,14)/rA:18nCNCCCNCONCCCCClCFFF/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s9;s10;s11;s9s12;s4;s3;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11ClF3N3O
All Atoms:29
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.76629
Area:404.504
Solvation:-2.34631
Coulombic:-41.544
Bond Count [?]
All:19
Single:16
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:281.662
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.04
LogP (Chemaxon):1.35

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