Chemical ID: 5575841

Cc1cc(c(c(c1)C)c2cc([nH]n2)C)C
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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