Chemical ID: 7159577

Cc1c(c(nn1C(C)C(=O)NC(C)C)C(F)(F)F)Cl
Chemical ID:
7159577
Name [?]:
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-isopropyl-propanamide
SMILES [?]:
Cc1c(c(nn1C(C)C(=O)NC(C)C)C(F)(F)F)Cl
InChi [?]:
InChI=1/C11H15ClF3N3O/c1-5(2)16-10(19)7(4)18-6(3)8(12)9(17-18)11(13,14)15/h5,7H,1-4H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:13,14,1,8,12,2,7,3,4,9,15,19,16,17,18,11,5,6,10/E:(1,2)(13,14,15)/rA:19cCCCCNNCCCONCCCCFFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s12;s4;s15;s15;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15ClF3N3O
All Atoms:34
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:8.21649
Area:456.875
Solvation:-3.20539
Coulombic:-44.6684
Bond Count [?]
All:19
Single:16
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:297.704
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.8
LogP (Chemaxon):2.35

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