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Chemical ID: 4736431
Chemical ID:
4736431
Name [?]:
N-(2-furylmethyl)-5-methyl-1-tert-butyl-pyrazole-3-carboxamide
SMILES [?]:
Cc1cc(nn1C(C)(C)C)C(=O)NCc2ccco2
InChi [?]:
InChI=1/C14H19N3O2/c1-10-8-12(16-17(10)14(2,3)4)13(18)15-9-11-6-5-7-19-11/h5-8H,9H2,1-4H3,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,8,9,10,17,16,18,3,14,2,15,4,11,7,13,5,6,12,19/E:(2,3,4)/rA:19nCCCCNNCCCCCONCCCCCO/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;s7;s4;d11;s11;s13;s14;d15;s16;d17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19N3O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.76753 |
Area: | 470.063 |
Solvation: | -2.98404 |
Coulombic: | -33.4767 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 261.32 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.86 |
LogP (Chemaxon): | 1.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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