Chemical ID: 4249146

COc1cccc(c1)c2c(cn(n2)c3ccccc3)CO
Chemical ID:
4249146
Name [?]:
[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methanol
SMILES [?]:
COc1cccc(c1)c2c(cn(n2)c3ccccc3)CO
InChi [?]:
InChI=1/C17H16N2O2/c1-21-16-9-5-6-13(10-16)17-14(12-20)11-19(18-17)15-7-3-2-4-8-15/h2-11,20H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,5,6,15,19,4,8,11,20,7,10,14,3,9,13,12,21,2/E:(3,4)(7,8)/rA:21nCOCCCCCCCCCNNCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s12;s14;d15;s16;d17;d14s18;s10;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.75863
Area:484.031
Solvation:-4.34215
Coulombic:-30.009
Bond Count [?]
All:23
Single:15
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:280.321
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.04
LogP (Chemaxon):3.3

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Descriptor Annotations

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