Chemical ID: 3987030

CCc1c(c(nn1c2ccc(c(c2)C)C)c3ccc(c(c3)Cl)Cl)C(=O)O
Chemical ID:
3987030
Name [?]:
3-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-5-ethyl-pyrazole-4-carboxylic acid
SMILES [?]:
CCc1c(c(nn1c2ccc(c(c2)C)C)c3ccc(c(c3)Cl)Cl)C(=O)O
InChi [?]:
InChI=1/C20H18Cl2N2O2/c1-4-17-18(20(25)26)19(13-6-8-15(21)16(22)10-13)23-24(17)14-7-5-11(2)12(3)9-14/h5-10H,4H2,1-3H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,15,14,2,10,17,9,18,13,21,11,12,16,8,19,20,3,4,5,24,23,22,6,7,25,26/E:(25,26)/rA:26nCCCCCNNCCCCCCCCCCCCCCClClCOO/rB:s1;s2;d3;s4;d5;s3s6;s7;s8;d9;s10;d11;d8s12;s12;s11;s5;s16;d17;s18;d19;d16s20;s20;s19;s4;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18Cl2N2O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.3532
Area:590.398
Solvation:-2.40679
Coulombic:-34.472
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:389.275
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.16
LogP (Chemaxon):5.95

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