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Chemical ID: 7156395
Chemical ID:
7156395
Name [?]:
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentyl-propanamide
SMILES [?]:
Cc1c(c(nn1C(C)C(=O)NC2CCCC2)C(F)(F)F)Br
InChi [?]:
InChI=1/C13H17BrF3N3O/c1-7-10(14)11(13(15,16)17)19-20(7)8(2)12(21)18-9-5-3-4-6-9/h8-9H,3-6H2,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,8,14,15,13,16,2,7,12,3,4,9,17,21,18,19,20,11,5,6,10/E:(3,4)(5,6)(15,16,17)/rA:21cCCCCNNCCCONCCCCCCFFFBr/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s13;s14;s12s15;s4;s17;s17;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17BrF3N3O |
All Atoms: | 38 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.84468 |
Area: | 483.642 |
Solvation: | -3.24638 |
Coulombic: | -44.6516 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 368.193 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.35 |
LogP (Chemaxon): | 3.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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