Chemical ID: 4425799

Cc1c(c(n(n1)c2ccccc2)O)c3ccccc3
Chemical ID:
4425799
Name [?]:
5-methyl-2,4-diphenyl-pyrazol-3-ol
SMILES [?]:
Cc1c(c(n(n1)c2ccccc2)O)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/h2-11,19H,1H3
InChi Info:
AuxInfo=1/0/N:1,17,10,16,18,9,11,15,19,8,12,2,14,7,3,4,6,5,13/E:(4,5)(6,7)(8,9)(10,11)/rA:19nCCCCNNCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s9;d10;d7s11;s4;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:8.79691
Area:438.87
Solvation:-2.17483
Coulombic:-24.7185
Bond Count [?]
All:21
Single:13
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:250.295
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.25
LogP (Chemaxon):3.52

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Descriptor Annotations

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