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Chemical ID: 5991733
Chemical ID:
5991733
Name [?]:
N-isopentyl-2-(4-methoxyphenyl)-5-(5-methyl-2-furyl)-pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(o1)c2cc(n(n2)c3ccc(cc3)OC)C(=O)NCCC(C)C
InChi [?]:
InChI=1/C21H25N3O3/c1-14(2)11-12-22-21(25)19-13-18(20-10-5-15(3)27-20)23-24(19)16-6-8-17(26-4)9-7-16/h5-10,13-14H,11-12H2,1-4H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:26,27,1,19,3,13,17,14,16,4,24,23,8,25,2,12,15,7,9,5,20,22,11,10,21,18,6/E:(1,2)(6,7)(8,9)/rA:27nCCCCCOCCCNNCCCCCCOCCONCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s15;s18;s9;d20;s20;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25N3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3446 |
Area: | 621.266 |
Solvation: | -4.18708 |
Coulombic: | -42.9824 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 367.442 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.15 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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