Chemical ID: 3986942

CCc1c(c(nn1c2ccc(cc2)OC)c3ccc(cc3)N(=O)=O)C(=O)O
Chemical ID:
3986942
Name [?]:
5-ethyl-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-pyrazole-4-carboxylic acid
SMILES [?]:
CCc1c(c(nn1c2ccc(cc2)OC)c3ccc(cc3)N(=O)=O)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H17N3O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:5.1621
Area:575.718
Solvation:-9.23085
Coulombic:-51.287
Bond Count [?]
All:29
Single:18
Double:11
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:367.355
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.85
LogP (Chemaxon):3.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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