Chemical ID: 7157748

Cc1cc(nn1C(C)C(=O)NC(C)C(C)(C)C)C(F)(F)F
Chemical ID:
7157748
Name [?]:
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,2,2-trimethylpropyl)propanamide
SMILES [?]:
Cc1cc(nn1C(C)C(=O)NC(C)C(C)(C)C)C(F)(F)F
InChi [?]:
InChI=1/C14H22F3N3O/c1-8-7-11(14(15,16)17)19-20(8)9(2)12(21)18-10(3)13(4,5)6/h7,9-10H,1-6H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,8,13,15,16,17,3,2,7,12,4,9,14,18,19,20,21,11,5,6,10/E:(4,5,6)(15,16,17)/rA:21cCCCCNNCCCONCCCCCCCFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s12;s14;s14;s14;s4;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22F3N3O
All Atoms:43
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:8.66459
Area:486.29
Solvation:-3.49266
Coulombic:-45.0378
Bond Count [?]
All:21
Single:18
Double:3
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:305.339
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.31
LogP (Chemaxon):3.21

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