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Chemical ID: 5898385
Chemical ID:
5898385
Name [?]:
N-(4-diethylamino-1-methyl-butyl)-2-(2,5-dimethylphenyl)-5-(2-furyl)pyrazole-3-carboxamide
SMILES [?]:
CCN(CC)CCCC(C)NC(=O)c1cc(nn1c2cc(ccc2C)C)c3ccco3
InChi [?]:
InChI=1/C25H34N4O2/c1-6-28(7-2)14-8-10-20(5)26-25(30)23-17-21(24-11-9-15-31-24)27-29(23)22-16-18(3)12-13-19(22)4/h9,11-13,15-17,20H,6-8,10,14H2,1-5H3,(H,26,30)
InChi Info:
AuxInfo=1/1/N:1,5,26,25,10,2,4,7,29,8,28,22,23,6,30,20,15,21,24,9,16,19,14,27,12,11,17,3,18,13,31/E:(1,2)(6,7)/rA:31cCCNCCCCCCCNCOCCCNNCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;d12;s12;d14;s15;d16;s14s17;s18;s19;d20;s21;d22;d19s23;s24;s21;s16;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H34N4O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.2785 |
Area: | 659.047 |
Solvation: | -3.19769 |
Coulombic: | -41.5985 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 422.563 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.68 |
LogP (Chemaxon): | 4.21 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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