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Chemical ID: 7159395
Chemical ID:
7159395
Name [?]:
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(difluoromethyl)-5-methyl-pyrazol-1-yl]-acetamide
SMILES [?]:
Cc1cc(nn1CC(=O)NCCCn2c(cc(n2)C(F)(F)F)C3CC3)C(F)F
InChi [?]:
InChI=1/C17H20F5N5O/c1-10-7-12(16(18)19)24-27(10)9-15(28)23-5-2-6-26-13(11-3-4-11)8-14(25-26)17(20,21)22/h7-8,11,16H,2-6,9H2,1H3,(H,23,28)
InChi Info:
AuxInfo=1/1/N:1,12,24,25,11,13,3,16,7,2,23,4,15,17,8,26,19,27,28,20,21,22,10,5,18,14,6,9/E:(3,4)(18,19)(20,21,22)/rA:28nCCCCNNCCONCCCNCCCNCFFFCCCCFF/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;d15;s16;s14d17;s17;s19;s19;s19;s15;s23;s23s24;s4;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20F5N5O |
All Atoms: | 48 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.7623 |
Area: | 614.375 |
Solvation: | -6.59706 |
Coulombic: | -57.0066 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 405.366 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.56 |
LogP (Chemaxon): | 1.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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