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Chemical ID: 6117782
Chemical ID:
6117782
Name [?]:
5-(3,5-dimethylpyrazol-1-yl)-N-methyl-1H-imidazole-4-carboxamide
SMILES [?]:
Cc1cc(n(n1)c2c(nc[nH]2)C(=O)NC)C
InChi [?]:
InChI=1/C10H13N5O/c1-6-4-7(2)15(14-6)9-8(10(16)11-3)12-5-13-9/h4-5H,1-3H3,(H,11,16)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,16,15,3,10,2,4,8,7,12,14,9,11,6,5,13/rA:16nCCCCNNCCNCNCONCC/rB:s1;s2;d3;s4;d2s5;s5;d7;s8;d9;s7s10;s8;d12;s12;s14;s4;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13N5O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.80723 |
Area: | 391.637 |
Solvation: | -2.98368 |
Coulombic: | -41.5691 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 219.243 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.7 |
LogP (Chemaxon): | -0.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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