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Chemical ID: 5985128
Chemical ID:
5985128
Name [?]:
5-(3,4-dimethylphenyl)-N-(1,2-dimethylpropyl)-2-(m-tolyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1cccc(c1)n2c(cc(n2)c3ccc(c(c3)C)C)C(=O)NC(C)C(C)C
InChi [?]:
InChI=1/C24H29N3O/c1-15(2)19(6)25-24(28)23-14-22(20-11-10-17(4)18(5)13-20)26-27(23)21-9-7-8-16(3)12-21/h7-15,19H,1-6H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:27,28,1,20,19,25,4,3,5,15,14,7,18,10,26,2,16,17,24,13,6,11,9,21,23,12,8,22/E:(1,2)/rA:28cCCCCCCCNCCCNCCCCCCCCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s17;s16;s9;d21;s21;s23;s24;s24;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H29N3O |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.9992 |
Area: | 626.227 |
Solvation: | -2.6565 |
Coulombic: | -29.8027 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 375.507 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.29 |
LogP (Chemaxon): | 5.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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