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Chemical ID: 7173160
Chemical ID:
7173160
Name [?]:
1-methyl-4-[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino-pyrazole-3-carboxamide
SMILES [?]:
Cn1cc(c(n1)C(=O)N)NC(=O)c2ccc(cc2)COCC(F)(F)F
InChi [?]:
InChI=1/C15H15F3N4O3/c1-22-6-11(12(21-22)13(19)23)20-14(24)10-4-2-9(3-5-10)7-25-8-15(16,17)18/h2-6H,7-8H2,1H3,(H2,19,23)(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,15,17,14,18,3,19,21,16,13,4,5,7,11,22,23,24,25,9,10,6,2,8,12,20/E:(2,3)(4,5)(16,17,18)/rA:25nCNCCCNCONNCOCCCCCCCOCCFFF/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s4;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s20;s21;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15F3N4O3 |
All Atoms: | 40 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.22849 |
Area: | 546.786 |
Solvation: | -5.44115 |
Coulombic: | -78.977 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 356.3 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 2.26 |
LogP (Chemaxon): | 1.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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