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Chemical ID: 5575841
Chemical ID:
5575841
Name [?]:
3-methyl-5-(2,4,6-trimethylphenyl)-2H-pyrazole
SMILES [?]:
Cc1cc(c(c(c1)C)c2cc([nH]n2)C)C
InChi [?]:
InChI=1/C13H16N2/c1-8-5-9(2)13(10(3)6-8)12-7-11(4)14-15-12/h5-7H,1-4H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,8,15,14,7,3,10,2,6,4,11,9,5,12,13/E:(2,3)(5,6)(9,10)/rA:15nCCCCCCCCCCCNNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;d9s12;s11;s4;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16N2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.96463 |
Area: | 381.761 |
Solvation: | -1.57941 |
Coulombic: | -10.2868 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 200.28 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.2 |
LogP (Chemaxon): | 3.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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