Chemical ID: 5898646

Cc1ccc(c(c1)C)n2c(cc(n2)c3ccco3)C(=O)Nc4ccc(c(c4)C)C
Chemical ID:
5898646
Name [?]:
2-(2,4-dimethylphenyl)-N-(3,4-dimethylphenyl)-5-(2-furyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)n2c(cc(n2)c3ccco3)C(=O)Nc4ccc(c(c4)C)C
InChi [?]:
InChI=1/C24H23N3O2/c1-15-7-10-21(18(4)12-15)27-22(14-20(26-27)23-6-5-11-29-23)24(28)25-19-9-8-16(2)17(3)13-19/h5-14H,1-4H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,29,28,8,16,15,3,24,23,4,17,7,27,11,2,25,26,6,22,12,5,10,14,19,21,13,9,20,18/rA:29nCCCCCCCCNCCCNCCCCOCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s12;d14;s15;d16;s14s17;s10;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H23N3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.2938
Area:605.954
Solvation:-2.85507
Coulombic:-36.3071
Bond Count [?]
All:32
Single:21
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:385.458
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.24
LogP (Chemaxon):5.72

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Descriptor Annotations

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