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Chemical ID: 7159916
Chemical ID:
7159916
Name [?]:
2-(4-bromo-5-methyl-pyrazol-1-yl)-N-[2-(4-bromopyrazol-1-yl)ethyl]acetamide
SMILES [?]:
Cc1c(cnn1CC(=O)NCCn2cc(cn2)Br)Br
InChi [?]:
InChI=1/C11H13Br2N5O/c1-8-10(13)5-16-18(8)7-11(19)14-2-3-17-6-9(12)4-15-17/h4-6H,2-3,7H2,1H3,(H,14,19)
InChi Info:
AuxInfo=1/1/N:1,11,12,16,4,14,7,2,15,3,8,18,19,10,17,5,13,6,9/rA:19nCCCCNNCCONCCNCCCNBrBr/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;d14;s15;s13d16;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13Br2N5O |
All Atoms: | 32 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.22919 |
Area: | 500.959 |
Solvation: | -4.29478 |
Coulombic: | -27.083 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 391.062 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.82 |
LogP (Chemaxon): | 0.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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