Chemical ID: 7211607

Cc1c(c(nn1C(C)C(=O)NC(C)C(C)(C)C)C(F)(F)F)Cl
Chemical ID:
7211607
Name [?]:
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,2,2-trimethylpropyl)propanamide
SMILES [?]:
Cc1c(c(nn1C(C)C(=O)NC(C)C(C)(C)C)C(F)(F)F)Cl
InChi [?]:
InChI=1/C14H21ClF3N3O/c1-7-10(15)11(14(16,17)18)20-21(7)8(2)12(22)19-9(3)13(4,5)6/h8-9H,1-6H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,8,13,15,16,17,2,7,12,3,4,9,14,18,22,19,20,21,11,5,6,10/E:(4,5,6)(16,17,18)/rA:22cCCCCNNCCCONCCCCCCCFFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s12;s14;s14;s14;s4;s18;s18;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21ClF3N3O
All Atoms:43
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:9.58715
Area:510.798
Solvation:-3.1828
Coulombic:-45.621
Bond Count [?]
All:22
Single:19
Double:3
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:339.784
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.85
LogP (Chemaxon):3.73

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