Chemical ID: 7158184

CCN(CC)C(=O)CCn1c(c(c(n1)C(F)(F)F)Br)C
Chemical ID:
7158184
Name [?]:
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N,N-diethyl-propanamide
SMILES [?]:
CCN(CC)C(=O)CCn1c(c(c(n1)C(F)(F)F)Br)C
InChi [?]:
InChI=1/C12H17BrF3N3O/c1-4-18(5-2)9(20)6-7-19-8(3)10(13)11(17-19)12(14,15)16/h4-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,20,2,4,8,9,11,6,12,13,15,19,16,17,18,14,3,10,7/E:(1,2)(4,5)(14,15,16)/rA:20nCCNCCCOCCNCCCNCFFFBrC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;d11;s12;s10d13;s13;s15;s15;s15;s12;s11;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17BrF3N3O
All Atoms:37
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.37505
Area:485.871
Solvation:-2.77172
Coulombic:-38.958
Bond Count [?]
All:20
Single:17
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:356.182
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.71
LogP (Chemaxon):2.45

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