Chemical ID: 5570751

c1ccc(cc1)N2C(=O)CC(=N2)c3ccc(cc3)N
Chemical ID:
5570751
Name [?]:
5-(4-aminophenyl)-2-phenyl-4H-pyrazol-3-one
SMILES [?]:
c1ccc(cc1)N2C(=O)CC(=N2)c3ccc(cc3)N
InChi [?]:
InChI=1/C15H13N3O/c16-12-8-6-11(7-9-12)14-10-15(19)18(17-14)13-4-2-1-3-5-13/h1-9H,10,16H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,14,18,15,17,10,13,16,4,11,8,19,12,7,9/E:(2,3)(4,5)(6,7)(8,9)/rA:19nCCCCCCNCOCCNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s7d11;s11;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13N3O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.69223
Area:443.625
Solvation:-2.39838
Coulombic:-32.3541
Bond Count [?]
All:21
Single:13
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:251.283
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.34
LogP (Chemaxon):2.32

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue