Chemical ID: 7153855

CC(C(=O)NC(C)(C)C)n1c(c(c(n1)C(F)(F)F)Cl)C2CC2
Chemical ID:
7153855
Name [?]:
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-tert-butyl-propanamide
SMILES [?]:
CC(C(=O)NC(C)(C)C)n1c(c(c(n1)C(F)(F)F)Cl)C2CC2
InChi [?]:
InChI=1/C14H19ClF3N3O/c1-7(12(22)19-13(2,3)4)21-10(8-5-6-8)9(15)11(20-21)14(16,17)18/h7-8H,5-6H2,1-4H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,7,8,9,21,22,2,20,12,11,13,3,6,15,19,16,17,18,5,14,10,4/E:(2,3,4)(5,6)(16,17,18)/rA:22cCCCONCCCCNCCCNCFFFClCCC/rB:s1;s2;d3;s3;s5;s6;s6;s6;s2;s10;d11;s12;s10d13;s13;s15;s15;s15;s12;s11;s20;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19ClF3N3O
All Atoms:41
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.36643
Area:496.135
Solvation:-3.03694
Coulombic:-45.2845
Bond Count [?]
All:23
Single:20
Double:3
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:337.768
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.42
LogP (Chemaxon):2.8

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