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Chemical ID: 6301805
Chemical ID:
6301805
Name [?]:
N-(2-furylmethyl)-1-methyl-pyrazole-3-carboxamide
SMILES [?]:
Cn1ccc(n1)C(=O)NCc2ccco2
InChi [?]:
InChI=1/C10H11N3O2/c1-13-5-4-9(12-13)10(14)11-7-8-3-2-6-15-8/h2-6H,7H2,1H3,(H,11,14)
InChi Info:
AuxInfo=1/1/N:1,13,12,4,3,14,10,11,5,7,9,6,2,8,15/rA:15nCNCCCNCONCCCCCO/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s9;s10;d11;s12;d13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11N3O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.66727 |
Area: | 395.03 |
Solvation: | -3.20847 |
Coulombic: | -32.8222 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 205.213 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.33 |
LogP (Chemaxon): | 0.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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