Chemical ID: 5983525

Cc1ccc(c(c1)C)n2c(cc(n2)c3ccc(cc3)F)C(=O)O
Chemical ID:
5983525
Name [?]:
2-(2,4-dimethylphenyl)-5-(4-fluorophenyl)-pyrazole-3-carboxylic acid
SMILES [?]:
Cc1ccc(c(c1)C)n2c(cc(n2)c3ccc(cc3)F)C(=O)O
InChi [?]:
InChI=1/C18H15FN2O2/c1-11-3-8-16(12(2)9-11)21-17(18(22)23)10-15(20-21)13-4-6-14(19)7-5-13/h3-10H,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,8,3,15,19,16,18,4,7,11,2,6,14,17,12,5,10,21,20,13,9,22,23/E:(4,5)(6,7)(22,23)/rA:23nCCCCCCCCNCCCNCCCCCCFCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s17;s10;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15FN2O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.0347
Area:492.11
Solvation:-3.26805
Coulombic:-38.0188
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:310.322
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.47
LogP (Chemaxon):4.44

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