Chemical ID: 5982434

CCCCNC(=O)c1cc(nn1c2cc(ccc2C)C)c3ccc(cc3)OC
Chemical ID:
5982434
Name [?]:
N-butyl-2-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-pyrazole-3-carboxamide
SMILES [?]:
CCCCNC(=O)c1cc(nn1c2cc(ccc2C)C)c3ccc(cc3)OC
InChi [?]:
InChI=1/C23H27N3O2/c1-5-6-13-24-23(27)22-15-20(18-9-11-19(28-4)12-10-18)25-26(22)21-14-16(2)7-8-17(21)3/h7-12,14-15H,5-6,13H2,1-4H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,20,19,28,2,3,16,17,22,26,23,25,4,14,9,15,18,21,24,10,13,8,6,5,11,12,7,27/E:(9,10)(11,12)/rA:28nCCCCNCOCCCNNCCCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s18;s15;s10;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H27N3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.914
Area:610.728
Solvation:-3.35421
Coulombic:-37.0249
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:377.479
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.37
LogP (Chemaxon):4.64

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Descriptor Annotations

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