Chemical ID: 6490477

Cn1ccc(n1)C(=O)n2cccn2
Chemical ID:
6490477
Name [?]:
(1-methylpyrazol-3-yl)-pyrazol-1-yl-methanone
SMILES [?]:
Cn1ccc(n1)C(=O)n2cccn2
InChi [?]:
InChI=1/C8H8N4O/c1-11-6-3-7(10-11)8(13)12-5-2-4-9-12/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,4,12,10,3,5,7,13,6,2,9,8/rA:13nCNCCCNCONCCCN/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s9;d10;s11;s9d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N4O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.5074
Area:335.911
Solvation:-2.89037
Coulombic:-18.6914
Bond Count [?]
All:14
Single:9
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:176.175
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.57
LogP (Chemaxon):0.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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