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Chemical ID: 5982434
Chemical ID:
5982434
Name [?]:
N-butyl-2-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-pyrazole-3-carboxamide
SMILES [?]:
CCCCNC(=O)c1cc(nn1c2cc(ccc2C)C)c3ccc(cc3)OC
InChi [?]:
InChI=1/C23H27N3O2/c1-5-6-13-24-23(27)22-15-20(18-9-11-19(28-4)12-10-18)25-26(22)21-14-16(2)7-8-17(21)3/h7-12,14-15H,5-6,13H2,1-4H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,20,19,28,2,3,16,17,22,26,23,25,4,14,9,15,18,21,24,10,13,8,6,5,11,12,7,27/E:(9,10)(11,12)/rA:28nCCCCNCOCCCNNCCCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s18;s15;s10;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H27N3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.914 |
Area: | 610.728 |
Solvation: | -3.35421 |
Coulombic: | -37.0249 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 377.479 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.37 |
LogP (Chemaxon): | 4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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