Chemical ID: 7155282

Cn1c(c(c(n1)C(=O)NCC=C)Cl)C(F)(F)F
Chemical ID:
7155282
Name [?]:
N-allyl-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILES [?]:
Cn1c(c(c(n1)C(=O)NCC=C)Cl)C(F)(F)F
InChi [?]:
InChI=1/C9H9ClF3N3O/c1-3-4-14-8(17)6-5(10)7(9(11,12)13)16(2)15-6/h3H,1,4H2,2H3,(H,14,17)
InChi Info:
AuxInfo=1/1/N:12,1,11,10,4,5,3,7,14,13,15,16,17,9,6,2,8/E:(11,12,13)/rA:17nCNCCCNCONCCCClCFFF/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s9;s10;d11;s4;s3;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9ClF3N3O
All Atoms:26
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.94394
Area:410.945
Solvation:-2.32968
Coulombic:-47.6092
Bond Count [?]
All:17
Single:13
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:267.635
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.01
LogP (Chemaxon):1.52

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