Chemical ID: 5982504

CCC(C)NC(=O)c1cc(nn1c2ccc(cc2)C)c3cccc(c3)OC
Chemical ID:
5982504
Name [?]:
5-(3-methoxyphenyl)-2-(p-tolyl)-N-sec-butyl-pyrazole-3-carboxamide
SMILES [?]:
CCC(C)NC(=O)c1cc(nn1c2ccc(cc2)C)c3cccc(c3)OC
InChi [?]:
InChI=1/C22H25N3O2/c1-5-16(3)23-22(26)21-14-20(17-7-6-8-19(13-17)27-4)24-25(21)18-11-9-15(2)10-12-18/h6-14,16H,5H2,1-4H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,19,4,27,2,22,21,23,15,17,14,18,25,9,16,3,20,13,24,10,8,6,5,11,12,7,26/E:(9,10)(11,12)/rA:27cCCCCNCOCCCNNCCCCCCCCCCCCCOC/rB:s1;s2;s3;s3;s5;d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s16;s10;s20;d21;s22;d23;d20s24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25N3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.9985
Area:605.269
Solvation:-4.13321
Coulombic:-35.9361
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:363.453
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.03
LogP (Chemaxon):4.19

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Descriptor Annotations

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