Chemical ID: 5986872

CC(c1ccccc1)NC(=O)c2cc(nn2c3ccc(cc3)[N+](=O)[O-])c4ccc(cc4)OC
Chemical ID:
5986872
Name [?]:
5-(4-methoxyphenyl)-2-(4-nitrophenyl)-N-(1-phenylethyl)pyrazole-3-carboxamide
SMILES [?]:
CC(c1ccccc1)NC(=O)c2cc(nn2c3ccc(cc3)[N+](=O)[O-])c4ccc(cc4)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H22N4O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:8.07961
Area:691.705
Solvation:-9.21302
Coulombic:-48.5362
Bond Count [?]
All:36
Single:23
Double:13
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:442.467
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.36
LogP (Chemaxon):4.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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