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Chemical ID: 7211532
Chemical ID:
7211532
Name [?]:
4-bromo-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
SMILES [?]:
Cn1ccc(n1)CNC(=O)c2c(cnn2C)Br
InChi [?]:
InChI=1/C10H12BrN5O/c1-15-4-3-7(14-15)5-12-10(17)9-8(11)6-13-16(9)2/h3-4,6H,5H2,1-2H3,(H,12,17)
InChi Info:
AuxInfo=1/1/N:1,16,4,3,7,13,5,12,11,9,17,8,14,6,2,15,10/rA:17nCNCCCNCNCOCCCNNCBr/rB:s1;s2;d3;s4;s2d5;s5;s7;s8;d9;s9;d11;s12;d13;s11s14;s15;s12;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12BrN5O |
All Atoms: | 29 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.68595 |
Area: | 444.369 |
Solvation: | -3.42326 |
Coulombic: | -28.9171 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 298.139 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.93 |
LogP (Chemaxon): | -0.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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