Chemical ID: 5983529

Cc1ccc(c(c1)C)n2c(cc(n2)c3ccc(cc3)OC)C(=O)O
Chemical ID:
5983529
Name [?]:
2-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-pyrazole-3-carboxylic acid
SMILES [?]:
Cc1ccc(c(c1)C)n2c(cc(n2)c3ccc(cc3)OC)C(=O)O
InChi [?]:
InChI=1/C19H18N2O3/c1-12-4-9-17(13(2)10-12)21-18(19(22)23)11-16(20-21)14-5-7-15(24-3)8-6-14/h4-11H,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,8,21,3,15,19,16,18,4,7,11,2,6,14,17,12,5,10,22,13,9,23,24,20/E:(5,6)(7,8)(22,23)/rA:24nCCCCCCCCNCCCNCCCCCCOCCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s10;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.35756
Area:523.021
Solvation:-3.71797
Coulombic:-41.3511
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:322.358
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.23
LogP (Chemaxon):4.05

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