Chemical ID: 7169546

Cc1c(cn(n1)CCCNC(=O)CCn2c(c(c(n2)C(F)(F)F)Cl)C)Cl
Chemical ID:
7169546
Name [?]:
N-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propanamide
SMILES [?]:
Cc1c(cn(n1)CCCNC(=O)CCn2c(c(c(n2)C(F)(F)F)Cl)C)Cl
InChi [?]:
InChI=1/C15H18Cl2F3N5O/c1-9-11(16)8-24(22-9)6-3-5-21-12(26)4-7-25-10(2)13(17)14(23-25)15(18,19)20/h8H,3-7H2,1-2H3,(H,21,26)
InChi Info:
AuxInfo=1/1/N:1,25,8,13,9,7,14,4,2,16,3,11,17,18,20,26,24,21,22,23,10,6,19,5,15,12/E:(18,19,20)/rA:26nCCCCNNCCCNCOCCNCCCNCFFFClCCl/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;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18Cl2F3N5O
All Atoms:44
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.7829
Area:626.233
Solvation:-3.87292
Coulombic:-47.7609
Bond Count [?]
All:27
Single:22
Double:5
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:412.237
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.98
LogP (Chemaxon):2.12

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