Chemical ID: 5898414

CCC(C)NC(=O)c1cc(nn1c2ccccc2Cl)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
5898414
Name [?]:
2-(2-chlorophenyl)-5-(4-nitrophenyl)-N-sec-butyl-pyrazole-3-carboxamide
SMILES [?]:
CCC(C)NC(=O)c1cc(nn1c2ccccc2Cl)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H19ClN4O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:7.09645
Area:595.774
Solvation:-7.7979
Coulombic:-41.4417
Bond Count [?]
All:30
Single:20
Double:10
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:398.843
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.07
LogP (Chemaxon):4.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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