Chemical ID: 5987087

CCCCNC(=O)c1cc(nn1c2ccccc2)c3ccccc3Cl
Chemical ID:
5987087
Name [?]:
N-butyl-5-(2-chlorophenyl)-2-phenyl-pyrazole-3-carboxamide
SMILES [?]:
CCCCNC(=O)c1cc(nn1c2ccccc2)c3ccccc3Cl
InChi [?]:
InChI=1/C20H20ClN3O/c1-2-3-13-22-20(25)19-14-18(16-11-7-8-12-17(16)21)23-24(19)15-9-5-4-6-10-15/h4-12,14H,2-3,13H2,1H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,16,15,17,21,22,14,18,20,23,4,9,13,19,24,10,8,6,25,5,11,12,7/E:(5,6)(9,10)/rA:25nCCCCNCOCCCNNCCCCCCCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s10;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20ClN3O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.3963
Area:573.205
Solvation:-2.9338
Coulombic:-30.084
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:353.845
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.41
LogP (Chemaxon):4.47

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