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Chemical ID: 7157530
Chemical ID:
7157530
Name [?]:
2-(4-bromo-5-methyl-pyrazol-1-yl)-N-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-acetamide
SMILES [?]:
Cc1c(cnn1CC(=O)NC(Cn2cccn2)C(C)(C)C)Br
InChi [?]:
InChI=1/C15H22BrN5O/c1-11-12(16)8-18-21(11)10-14(22)19-13(15(2,3)4)9-20-7-5-6-17-20/h5-8,13H,9-10H2,1-4H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,19,20,21,15,16,14,4,12,7,2,3,11,8,18,22,17,5,10,13,6,9/E:(2,3,4)/rA:22cCCCCNNCCONCCNCCCNCCCCBr/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;d14;s15;s13d16;s11;s18;s18;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22BrN5O |
All Atoms: | 44 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.64894 |
Area: | 516.759 |
Solvation: | -4.27005 |
Coulombic: | -27.525 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 368.272 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.62 |
LogP (Chemaxon): | 1.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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