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Chemical ID: 7153704
Chemical ID:
7153704
Name [?]:
2-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
SMILES [?]:
Cn1c(c(cn1)NC(=O)CCn2cc(cn2)[N+](=O)[O-])C(=O)N
InChi [?]:
InChI=1/C11H13N7O4/c1-16-10(11(12)20)8(5-13-16)15-9(19)2-3-17-6-7(4-14-17)18(21)22/h4-6H,2-3H2,1H3,(H2,12,20)(H,15,19)
InChi Info:
AuxInfo=1/1/N:1,10,11,15,5,13,14,4,8,3,20,22,6,16,7,2,12,17,9,21,18,19/E:(21,22)/CRV:18.5/rA:22nCNCCCNNCOCCNCCCNN+OO-CON/rB:s1;s2;d3;s4;s2d5;s4;s7;d8;s8;s10;s11;s12;d13;s14;s12d15;s14;d17;s17;s3;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13N7O4 |
All Atoms: | 35 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.63259 |
Area: | 515.995 |
Solvation: | -9.26727 |
Coulombic: | -65.6927 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 307.266 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | -0.18 |
LogP (Chemaxon): | -1.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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