Chemical ID: 7154815

C1CCC(CC1)NC(=O)Cn2c(c(c(n2)C(F)(F)F)Cl)C3CC3
Chemical ID:
7154815
Name [?]:
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexyl-acetamide
SMILES [?]:
C1CCC(CC1)NC(=O)Cn2c(c(c(n2)C(F)(F)F)Cl)C3CC3
InChi [?]:
InChI=1/C15H19ClF3N3O/c16-12-13(9-6-7-9)22(21-14(12)15(17,18)19)8-11(23)20-10-4-2-1-3-5-10/h9-10H,1-8H2,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,22,23,10,21,4,8,13,12,14,16,20,17,18,19,7,15,11,9/E:(2,3)(4,5)(6,7)(17,18,19)/rA:23nCCCCCCNCOCNCCCNCFFFClCCC/rB:s1;s2;s3;s4;s1s5;s4;s7;d8;s8;s10;s11;d12;s13;s11d14;s14;s16;s16;s16;s13;s12;s21;s21s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19ClF3N3O
All Atoms:42
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.69548
Area:512.585
Solvation:-3.11913
Coulombic:-45.4799
Bond Count [?]
All:25
Single:22
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:349.779
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.42
LogP (Chemaxon):3.01

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