Chemical ID: 7169636

Cc1cc(nn1CCCNC(=O)CCn2c(c(c(n2)C(F)(F)F)Cl)C)C(F)(F)F
Chemical ID:
7169636
Name [?]:
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
SMILES [?]:
Cc1cc(nn1CCCNC(=O)CCn2c(c(c(n2)C(F)(F)F)Cl)C)C(F)(F)F
InChi [?]:
InChI=1/C16H18ClF6N5O/c1-9-8-11(15(18,19)20)25-27(9)6-3-5-24-12(29)4-7-28-10(2)13(17)14(26-28)16(21,22)23/h8H,3-7H2,1-2H3,(H,24,29)
InChi Info:
AuxInfo=1/1/N:1,25,8,13,9,7,14,3,2,16,4,11,17,18,26,20,24,27,28,29,21,22,23,10,5,19,6,15,12/E:(18,19,20)(21,22,23)/rA:29nCCCCNNCCCNCOCCNCCCNCFFFClCCFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;s15d18;s18;s20;s20;s20;s17;s16;s4;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18ClF6N5O
All Atoms:47
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.3543
Area:637.136
Solvation:-4.57413
Coulombic:-66.7605
Bond Count [?]
All:30
Single:25
Double:5
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:445.79
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.37
LogP (Chemaxon):2.73

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Descriptor Annotations

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