Chemical ID: 5898016

CCC(C)NC(=O)c1cc(nn1c2cc(ccc2C)C)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
5898016
Name [?]:
2-(2,5-dimethylphenyl)-5-(4-nitrophenyl)-N-sec-butyl-pyrazole-3-carboxamide
SMILES [?]:
CCC(C)NC(=O)c1cc(nn1c2cc(ccc2C)C)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H24N4O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:7.48778
Area:605.938
Solvation:-7.66067
Coulombic:-40.9436
Bond Count [?]
All:31
Single:21
Double:10
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:392.451
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.11
LogP (Chemaxon):4.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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