Chemical ID: 5982221

COCCNC(=O)c1cc(nn1c2ccc(c(c2)Cl)Cl)c3ccc(cc3)F
Chemical ID:
5982221
Name [?]:
2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide
SMILES [?]:
COCCNC(=O)c1cc(nn1c2ccc(c(c2)Cl)Cl)c3ccc(cc3)F
InChi [?]:
InChI=1/C19H16Cl2FN3O2/c1-27-9-8-23-19(26)18-11-17(12-2-4-13(22)5-3-12)24-25(18)14-6-7-15(20)16(21)10-14/h2-7,10-11H,8-9H2,1H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,22,26,23,25,14,15,4,3,18,9,21,24,13,16,17,10,8,6,20,19,27,5,11,12,7,2/E:(2,3)(4,5)/rA:27nCOCCNCOCCCNNCCCCCCClClCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s17;s16;s10;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16Cl2FN3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.5322
Area:617.778
Solvation:-4.9122
Coulombic:-40.062
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:408.253
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.65
LogP (Chemaxon):3.76

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Descriptor Annotations

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