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Chemical ID: 5985937
Chemical ID:
5985937
Name [?]:
5-(2,4-dimethoxyphenyl)-N-isopropyl-2-(p-tolyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(cc1)n2c(cc(n2)c3ccc(cc3OC)OC)C(=O)NC(C)C
InChi [?]:
InChI=1/C22H25N3O3/c1-14(2)23-22(26)20-13-19(18-11-10-17(27-4)12-21(18)28-5)24-25(20)16-8-6-15(3)7-9-16/h6-14H,1-5H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:27,28,1,22,20,3,7,4,6,15,14,17,10,26,2,5,16,13,11,9,18,23,25,12,8,24,21,19/E:(1,2)(6,7)(8,9)/rA:28nCCCCCCCNCCCNCCCCCCOCOCCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s18;s19;s16;s21;s9;d23;s23;s25;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25N3O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.41214 |
Area: | 612.55 |
Solvation: | -5.9016 |
Coulombic: | -41.2342 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 379.452 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.59 |
LogP (Chemaxon): | 3.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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