Chemical ID: 6450726

CCOC(=O)c1c(cn(n1)c2ccccc2)C(=O)c3ccc(cc3)c4ccccc4
Chemical ID:
6450726
Name [?]:
ethyl 1-phenyl-4-(4-phenylbenzoyl)-pyrazole-3-carboxylate
SMILES [?]:
CCOC(=O)c1c(cn(n1)c2ccccc2)C(=O)c3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C25H20N2O3/c1-2-30-25(29)23-22(17-27(26-23)21-11-7-4-8-12-21)24(28)20-15-13-19(14-16-20)18-9-5-3-6-10-18/h3-17H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,28,14,27,29,13,15,26,30,12,16,21,23,20,24,8,25,22,19,11,7,6,17,4,10,9,18,5,3/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:30nCCOCOCCCNNCCCCCCCOCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s9;s11;d12;s13;d14;d11s15;s7;d17;s17;s19;d20;s21;d22;d19s23;s22;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H20N2O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.7505
Area:638.511
Solvation:-4.2123
Coulombic:-36.0039
Bond Count [?]
All:33
Single:20
Double:13
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:396.438
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.85
LogP (Chemaxon):5.2

Name Annotations

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Descriptor Annotations

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