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Chemical ID: 7155570
Chemical ID:
7155570
Name [?]:
N-[3-(4-bromopyrazol-1-yl)propyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-acetamide
SMILES [?]:
c1c(n(nc1C(F)(F)F)CC(=O)NCCCn2cc(cn2)Br)C3CC3
InChi [?]:
InChI=1/C15H17BrF3N5O/c16-11-7-21-23(8-11)5-1-4-20-14(25)9-24-12(10-2-3-10)6-13(22-24)15(17,18)19/h6-8,10H,1-5,9H2,(H,20,25)
InChi Info:
AuxInfo=1/1/N:15,24,25,14,16,1,20,18,10,23,19,2,5,11,6,22,7,8,9,13,21,4,17,3,12/E:(2,3)(17,18,19)/rA:25nCCNNCCFFFCCONCCCNCCCNBrCCC/rB:d1;s2;s3;s1d4;s5;s6;s6;s6;s3;s10;d11;s11;s13;s14;s15;s16;s17;d18;s19;s17d20;s19;s2;s23;s23s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17BrF3N5O |
All Atoms: | 42 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.81966 |
Area: | 583.382 |
Solvation: | -4.76489 |
Coulombic: | -47.3057 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 420.228 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.52 |
LogP (Chemaxon): | 1.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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