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Chemical ID: 5984843
Chemical ID:
5984843
Name [?]:
2-(2,4-dimethylphenyl)-N-isopentyl-5-phenyl-pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)n2c(cc(n2)c3ccccc3)C(=O)NCCC(C)C
InChi [?]:
InChI=1/C23H27N3O/c1-16(2)12-13-24-23(27)22-15-20(19-8-6-5-7-9-19)25-26(22)21-11-10-17(3)14-18(21)4/h5-11,14-16H,12-13H2,1-4H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:26,27,1,8,17,16,18,15,19,3,4,24,23,7,11,25,2,6,14,12,5,10,20,22,13,9,21/E:(1,2)(6,7)(8,9)/rA:27nCCCCCCCCNCCCNCCCCCCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s10;d20;s20;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H27N3O |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.7534 |
Area: | 592.619 |
Solvation: | -2.0621 |
Coulombic: | -31.1255 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 361.48 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.96 |
LogP (Chemaxon): | 5.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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