Chemical ID: 7212463

CCC(C)(C)NC(=O)C(C)n1c(c(c(n1)C(F)(F)F)Cl)C
Chemical ID:
7212463
Name [?]:
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,1-dimethylpropyl)propanamide
SMILES [?]:
CCC(C)(C)NC(=O)C(C)n1c(c(c(n1)C(F)(F)F)Cl)C
InChi [?]:
InChI=1/C13H19ClF3N3O/c1-6-12(4,5)18-11(21)8(3)20-7(2)9(14)10(19-20)13(15,16)17/h8H,6H2,1-5H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,21,10,4,5,2,12,9,13,14,7,3,16,20,17,18,19,6,15,11,8/E:(4,5)(15,16,17)/rA:21cCCCCCNCOCCNCCCNCFFFClC/rB:s1;s2;s3;s3;s3;s6;d7;s7;s9;s9;s11;d12;s13;s11d14;s14;s16;s16;s16;s13;s12;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19ClF3N3O
All Atoms:40
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.11067
Area:488.918
Solvation:-3.11227
Coulombic:-45.1298
Bond Count [?]
All:21
Single:18
Double:3
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:325.757
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.57
LogP (Chemaxon):2.9

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