Chemical ID: 7158805

CC(C(C)(C)C)NC(=O)Cn1c(cc(n1)C(F)(F)F)C2CC2
Chemical ID:
7158805
Name [?]:
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,2,2-trimethylpropyl)acetamide
SMILES [?]:
CC(C(C)(C)C)NC(=O)Cn1c(cc(n1)C(F)(F)F)C2CC2
InChi [?]:
InChI=1/C15H22F3N3O/c1-9(14(2,3)4)19-13(22)8-21-11(10-5-6-10)7-12(20-21)15(16,17)18/h7,9-10H,5-6,8H2,1-4H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,4,5,6,21,22,13,10,2,20,12,14,8,3,16,17,18,19,7,15,11,9/E:(2,3,4)(5,6)(16,17,18)/rA:22cCCCCCCNCOCNCCCNCFFFCCC/rB:s1;s2;s3;s3;s3;s2;s7;d8;s8;s10;s11;d12;s13;s11d14;s14;s16;s16;s16;s12;s20;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22F3N3O
All Atoms:44
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.28154
Area:507.591
Solvation:-3.40825
Coulombic:-45.1113
Bond Count [?]
All:23
Single:20
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:317.35
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.99
LogP (Chemaxon):3.04

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Descriptor Annotations

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