Chemical ID: 5981989

CCN(CC)C(=O)c1cc(nn1c2cc(ccc2C)C)c3ccc(c(c3)C)C
Chemical ID:
5981989
Name [?]:
2-(2,5-dimethylphenyl)-5-(3,4-dimethylphenyl)-N,N-diethyl-pyrazole-3-carboxamide
SMILES [?]:
CCN(CC)C(=O)c1cc(nn1c2cc(ccc2C)C)c3ccc(c(c3)C)C
InChi [?]:
InChI=1/C24H29N3O/c1-7-26(8-2)24(28)23-15-21(20-12-11-17(4)19(6)14-20)25-27(23)22-13-16(3)9-10-18(22)5/h9-15H,7-8H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,5,20,28,19,27,2,4,16,17,23,22,14,26,9,15,24,18,25,21,10,13,8,6,11,3,12,7/E:(1,2)(7,8)/rA:28nCCNCCCOCCCNNCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s18;s15;s10;s21;d22;s23;d24;d21s25;s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H29N3O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.3474
Area:602.584
Solvation:-2.71721
Coulombic:-24.4684
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:375.507
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.96
LogP (Chemaxon):5.55

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue