Chemical ID: 7152968

C=CCNC(=O)Cn1c(c(c(n1)C(F)(F)F)Cl)C2CC2
Chemical ID:
7152968
Name [?]:
N-allyl-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-acetamide
SMILES [?]:
C=CCNC(=O)Cn1c(c(c(n1)C(F)(F)F)Cl)C2CC2
InChi [?]:
InChI=1/C12H13ClF3N3O/c1-2-5-17-8(20)6-19-10(7-3-4-7)9(13)11(18-19)12(14,15)16/h2,7H,1,3-6H2,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,2,19,20,3,7,18,5,10,9,11,13,17,14,15,16,4,12,8,6/E:(3,4)(14,15,16)/rA:20nCCCNCOCNCCCNCFFFClCCC/rB:d1;s2;s3;s4;d5;s5;s7;s8;d9;s10;s8d11;s11;s13;s13;s13;s10;s9;s18;s18s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13ClF3N3O
All Atoms:33
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.58114
Area:470.436
Solvation:-3.17978
Coulombic:-46.2103
Bond Count [?]
All:21
Single:17
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:307.699
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.21
LogP (Chemaxon):2.17

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