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Chemical ID: 7189667
Chemical ID:
7189667
Name [?]:
3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanehydrazide
SMILES [?]:
Cc1c(c(n(n1)CC(C)C(=O)NN)C)Br
InChi [?]:
InChI=1/C9H15BrN4O/c1-5(9(15)12-11)4-14-7(3)8(10)6(2)13-14/h5H,4,11H2,1-3H3,(H,12,15)
InChi Info:
AuxInfo=1/1/N:9,1,14,7,8,2,4,3,10,15,13,12,6,5,11/rA:15cCCCCNNCCCCONNCBr/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;s8;d10;s10;s12;s4;s3;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H15BrN4O |
All Atoms: | 30 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.33368 |
Area: | 409.958 |
Solvation: | -2.91526 |
Coulombic: | -30.0234 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 275.146 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 0.32 |
LogP (Chemaxon): | 0.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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