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Chemical ID: 7155399
Chemical ID:
7155399
Name [?]:
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopropyl-propanamide
SMILES [?]:
Cc1c(c(nn1C(C)C(=O)NC2CC2)C(F)(F)F)Br
InChi [?]:
InChI=1/C11H13BrF3N3O/c1-5-8(12)9(11(13,14)15)17-18(5)6(2)10(19)16-7-3-4-7/h6-7H,3-4H2,1-2H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,8,13,14,2,7,12,3,4,9,15,19,16,17,18,11,5,6,10/E:(3,4)(13,14,15)/rA:19cCCCCNNCCCONCCCCFFFBr/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s12s13;s4;s15;s15;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13BrF3N3O |
All Atoms: | 32 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.9427 |
Area: | 450.79 |
Solvation: | -3.32705 |
Coulombic: | -43.9756 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 340.14 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.63 |
LogP (Chemaxon): | 2.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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