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Chemical ID: 5982027
Chemical ID:
5982027
Name [?]:
5-(4-fluorophenyl)-N-(1-methyl-3-phenyl-propyl)-2-phenyl-pyrazole-3-carboxamide
SMILES [?]:
CC(CCc1ccccc1)NC(=O)c2cc(nn2c3ccccc3)c4ccc(cc4)F
InChi [?]:
InChI=1/C26H24FN3O/c1-19(12-13-20-8-4-2-5-9-20)28-26(31)25-18-24(21-14-16-22(27)17-15-21)29-30(25)23-10-6-3-7-11-23/h2-11,14-19H,12-13H2,1H3,(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,8,22,7,9,21,23,6,10,20,24,3,4,26,30,27,29,15,2,5,25,28,19,16,14,12,31,11,17,18,13/E:(4,5)(6,7)(8,9)(10,11)(14,15)(16,17)/rA:31cCCCCCCCCCCNCOCCCNNCCCCCCCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2;s11;d12;s12;d14;s15;d16;s14s17;s18;s19;d20;s21;d22;d19s23;s16;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24FN3O |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.5657 |
Area: | 661.469 |
Solvation: | -3.97105 |
Coulombic: | -34.5971 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 413.487 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.29 |
LogP (Chemaxon): | 5.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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