Chemical ID: 4691147

Cc1c(c(=O)n([nH]1)c2ccccc2)c3ccccc3
Chemical ID:
4691147
Name [?]:
5-methyl-2,4-diphenyl-1H-pyrazol-3-one
SMILES [?]:
Cc1c(c(=O)n([nH]1)c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C16H14N2O/c1-12-15(13-8-4-2-5-9-13)16(19)18(17-12)14-10-6-3-7-11-14/h2-11,17H,1H3
InChi Info:
AuxInfo=1/0/N:1,17,11,16,18,10,12,15,19,9,13,2,14,8,3,4,7,6,5/E:(4,5)(6,7)(8,9)(10,11)/rA:19nCCCCONNCCCCCCCCCCCC/rB:s1;d2;s3;d4;s4;s2s6;s6;s8;d9;s10;d11;d8s12;s3;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.07284
Area:439.542
Solvation:-1.91572
Coulombic:-25.4332
Bond Count [?]
All:21
Single:13
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:250.295
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.54
LogP (Chemaxon):3.04

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Descriptor Annotations

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