Chemical ID: 5985128

Cc1cccc(c1)n2c(cc(n2)c3ccc(c(c3)C)C)C(=O)NC(C)C(C)C
Chemical ID:
5985128
Name [?]:
5-(3,4-dimethylphenyl)-N-(1,2-dimethylpropyl)-2-(m-tolyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1cccc(c1)n2c(cc(n2)c3ccc(c(c3)C)C)C(=O)NC(C)C(C)C
InChi [?]:
InChI=1/C24H29N3O/c1-15(2)19(6)25-24(28)23-14-22(20-11-10-17(4)18(5)13-20)26-27(23)21-9-7-8-16(3)12-21/h7-15,19H,1-6H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:27,28,1,20,19,25,4,3,5,15,14,7,18,10,26,2,16,17,24,13,6,11,9,21,23,12,8,22/E:(1,2)/rA:28cCCCCCCCNCCCNCCCCCCCCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s17;s16;s9;d21;s21;s23;s24;s24;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H29N3O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:12.9992
Area:626.227
Solvation:-2.6565
Coulombic:-29.8027
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:375.507
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.29
LogP (Chemaxon):5.78

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