Chemical ID: 4167846

CCOc1cc(nn1c2ccccc2)C
Chemical ID:
4167846
Name [?]:
5-ethoxy-3-methyl-1-phenyl-pyrazole
SMILES [?]:
CCOc1cc(nn1c2ccccc2)C
InChi [?]:
InChI=1/C12H14N2O/c1-3-15-12-9-10(2)13-14(12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,12,11,13,10,14,5,6,9,4,7,8,3/E:(5,6)(7,8)/rA:15nCCOCCCNNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s8;s9;d10;s11;d12;d9s13;s6;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14N2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.0543
Area:390.076
Solvation:-2.69761
Coulombic:-13.6232
Bond Count [?]
All:16
Single:11
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:202.252
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.14
LogP (Chemaxon):2.21

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Descriptor Annotations

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