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Chemical ID: 5898646
Chemical ID:
5898646
Name [?]:
2-(2,4-dimethylphenyl)-N-(3,4-dimethylphenyl)-5-(2-furyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)n2c(cc(n2)c3ccco3)C(=O)Nc4ccc(c(c4)C)C
InChi [?]:
InChI=1/C24H23N3O2/c1-15-7-10-21(18(4)12-15)27-22(14-20(26-27)23-6-5-11-29-23)24(28)25-19-9-8-16(2)17(3)13-19/h5-14H,1-4H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,29,28,8,16,15,3,24,23,4,17,7,27,11,2,25,26,6,22,12,5,10,14,19,21,13,9,20,18/rA:29nCCCCCCCCNCCCNCCCCOCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s12;d14;s15;d16;s14s17;s10;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23N3O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2938 |
Area: | 605.954 |
Solvation: | -2.85507 |
Coulombic: | -36.3071 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 385.458 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.24 |
LogP (Chemaxon): | 5.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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