Chemical ID: 5991393

CCN(CC)C(=O)c1cc(nn1c2ccccc2Cl)c3ccc(o3)C
Chemical ID:
5991393
Name [?]:
2-(2-chlorophenyl)-N,N-diethyl-5-(5-methyl-2-furyl)-pyrazole-3-carboxamide
SMILES [?]:
CCN(CC)C(=O)c1cc(nn1c2ccccc2Cl)c3ccc(o3)C
InChi [?]:
InChI=1/C19H20ClN3O2/c1-4-22(5-2)19(24)17-12-15(18-11-10-13(3)25-18)21-23(17)16-9-7-6-8-14(16)20/h6-12H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,25,2,4,16,15,17,14,22,21,9,23,18,10,13,8,20,6,19,11,3,12,7,24/E:(1,2)(4,5)/rA:25nCCNCCCOCCCNNCCCCCCClCCCCOC/rB:s1;s2;s3;s4;s3;d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s18;s10;d20;s21;d22;s20s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20ClN3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.047
Area:552.623
Solvation:-2.76855
Coulombic:-32.0409
Bond Count [?]
All:27
Single:19
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:357.834
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.99
LogP (Chemaxon):3.16

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Descriptor Annotations

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