Chemical ID: 3986955

CCc1c(c(nn1c2ccccc2)c3ccc(cc3)C(F)(F)F)C(=O)O
Chemical ID:
3986955
Name [?]:
5-ethyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]-pyrazole-4-carboxylic acid
SMILES [?]:
CCc1c(c(nn1c2ccccc2)c3ccc(cc3)C(F)(F)F)C(=O)O
InChi [?]:
InChI=1/C19H15F3N2O2/c1-2-15-16(18(25)26)17(23-24(15)14-6-4-3-5-7-14)12-8-10-13(11-9-12)19(20,21)22/h3-11H,2H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,12,9,13,15,19,16,18,14,17,8,3,4,5,24,20,21,22,23,6,7,25,26/E:(4,5)(6,7)(8,9)(10,11)(20,21,22)(25,26)/rA:26nCCCCCNNCCCCCCCCCCCCCFFFCOO/rB:s1;s2;d3;s4;d5;s3s6;s7;s8;d9;s10;d11;d8s12;s5;s14;d15;s16;d17;d14s18;s17;s20;s20;s20;s4;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15F3N2O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.177
Area:531.092
Solvation:-3.1003
Coulombic:-53.0583
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:360.33
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.97
LogP (Chemaxon):4.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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