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Chemical ID: 7171106
Chemical ID:
7171106
Name [?]:
1-methyl-4-(2-methylbenzoyl)amino-pyrazole-3-carboxamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2cn(nc2C(=O)N)C
InChi [?]:
InChI=1/C13H14N4O2/c1-8-5-3-4-6-9(8)13(19)15-10-7-17(2)16-11(10)12(14)18/h3-7H,1-2H3,(H2,14,18)(H,15,19)
InChi Info:
AuxInfo=1/1/N:1,19,4,5,3,6,12,2,7,11,15,16,8,18,10,14,13,17,9/rA:19nCCCCCCCCONCCNNCCONC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;d11;s12;s13;s11d14;s15;d16;s16;s13;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N4O2 |
All Atoms: | 33 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.86498 |
Area: | 441.501 |
Solvation: | -2.17255 |
Coulombic: | -54.0605 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 258.276 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.56 |
LogP (Chemaxon): | 1.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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