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Chemical ID: 7154585
Chemical ID:
7154585
Name [?]:
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methyl-4-piperidyl)-acetamide
SMILES [?]:
CN1CCC(CC1)NC(=O)Cn2c(c(c(n2)C(F)(F)F)Cl)C3CC3
InChi [?]:
InChI=1/C15H20ClF3N4O/c1-22-6-4-10(5-7-22)20-11(24)8-23-13(9-2-3-9)12(16)14(21-23)15(17,18)19/h9-10H,2-8H2,1H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,23,24,4,6,3,7,11,22,5,9,14,13,15,17,21,18,19,20,8,16,2,12,10/E:(2,3)(4,5)(6,7)(17,18,19)/rA:24nCNCCCCCNCOCNCCCNCFFFClCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s9;s11;s12;d13;s14;s12d15;s15;s17;s17;s17;s14;s13;s22;s22s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20ClF3N4O |
All Atoms: | 44 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.67409 |
Area: | 531.169 |
Solvation: | -3.60513 |
Coulombic: | -49.2413 |
Bond Count [?]
All: | 26 |
Single: | 23 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 364.794 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.99 |
LogP (Chemaxon): | 1.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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