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Chemical ID: 5981989
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
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Experimental Annotations
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Descriptor Annotations
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