Chemical ID: 7169388

Cc1c(c(n(n1)CCCNC(=O)CCn2c(c(c(n2)C(F)(F)F)Cl)C)C)Cl
Chemical ID:
7169388
Name [?]:
N-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propanamide
SMILES [?]:
Cc1c(c(n(n1)CCCNC(=O)CCn2c(c(c(n2)C(F)(F)F)Cl)C)C)Cl
InChi [?]:
InChI=1/C16H20Cl2F3N5O/c1-9-13(17)10(2)25(23-9)7-4-6-22-12(27)5-8-26-11(3)14(18)15(24-26)16(19,20)21/h4-8H2,1-3H3,(H,22,27)
InChi Info:
AuxInfo=1/1/N:1,26,25,8,13,9,7,14,2,4,16,11,3,17,18,20,27,24,21,22,23,10,6,19,5,15,12/E:(19,20,21)/rA:27nCCCCNNCCCNCOCCNCCCNCFFFClCCCl/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;s15d18;s18;s20;s20;s20;s17;s16;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20Cl2F3N5O
All Atoms:47
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.191
Area:642.644
Solvation:-3.87506
Coulombic:-47.7915
Bond Count [?]
All:28
Single:23
Double:5
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:426.264
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.21
LogP (Chemaxon):2.14

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