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Chemical ID: 7154815
Chemical ID:
7154815
Name [?]:
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexyl-acetamide
SMILES [?]:
C1CCC(CC1)NC(=O)Cn2c(c(c(n2)C(F)(F)F)Cl)C3CC3
InChi [?]:
InChI=1/C15H19ClF3N3O/c16-12-13(9-6-7-9)22(21-14(12)15(17,18)19)8-11(23)20-10-4-2-1-3-5-10/h9-10H,1-8H2,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,22,23,10,21,4,8,13,12,14,16,20,17,18,19,7,15,11,9/E:(2,3)(4,5)(6,7)(17,18,19)/rA:23nCCCCCCNCOCNCCCNCFFFClCCC/rB:s1;s2;s3;s4;s1s5;s4;s7;d8;s8;s10;s11;d12;s13;s11d14;s14;s16;s16;s16;s13;s12;s21;s21s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19ClF3N3O |
All Atoms: | 42 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.69548 |
Area: | 512.585 |
Solvation: | -3.11913 |
Coulombic: | -45.4799 |
Bond Count [?]
All: | 25 |
Single: | 22 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 349.779 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.42 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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