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Chemical ID: 7154765
Chemical ID:
7154765
Name [?]:
N-[3-(4-bromopyrazol-1-yl)propyl]-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-acetamide
SMILES [?]:
c1c(cn(n1)CCCNC(=O)Cn2c(c(c(n2)C(F)(F)F)Cl)C3CC3)Br
InChi [?]:
InChI=1/C15H16BrClF3N5O/c16-10-6-22-24(7-10)5-1-4-21-11(26)8-25-13(9-2-3-9)12(17)14(23-25)15(18,19)20/h6-7,9H,1-5,8H2,(H,21,26)
InChi Info:
AuxInfo=1/1/N:7,24,25,8,6,1,3,12,23,2,10,15,14,16,18,26,22,19,20,21,9,5,17,4,13,11/E:(2,3)(18,19,20)/rA:26nCCCNNCCCNCOCNCCCNCFFFClCCCBr/rB:s1;d2;s3;d1s4;s4;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;s13d16;s16;s18;s18;s18;s15;s14;s23;s23s24;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16BrClF3N5O |
All Atoms: | 42 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5911 |
Area: | 598.71 |
Solvation: | -4.37668 |
Coulombic: | -47.975 |
Bond Count [?]
All: | 28 |
Single: | 23 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 454.673 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.06 |
LogP (Chemaxon): | 2.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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