Chemical ID: 7220365

Cc1c(c(nn1CCC(=O)NCC2CCCO2)C(F)(F)F)Cl
Chemical ID:
7220365
Name [?]:
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(tetrahydrofuran-2-ylmethyl)propanamide
SMILES [?]:
Cc1c(c(nn1CCC(=O)NCC2CCCO2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C13H17ClF3N3O2/c1-8-11(14)12(13(15,16)17)19-20(8)5-4-10(21)18-7-9-3-2-6-22-9/h9H,2-7H2,1H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,15,14,8,7,16,12,2,13,9,3,4,18,22,19,20,21,11,5,6,10,17/E:(15,16,17)/rA:22cCCCCNNCCCONCCCCCOCFFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s13s16;s4;s18;s18;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17ClF3N3O2
All Atoms:39
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.89396
Area:522.08
Solvation:-4.15803
Coulombic:-51.3867
Bond Count [?]
All:23
Single:20
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:339.741
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.9
LogP (Chemaxon):1.47

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