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Chemical ID: 5981561
Chemical ID:
5981561
Name [?]:
2-(2,5-dimethylphenyl)-5-phenyl-N,N-dipropyl-pyrazole-3-carboxamide
SMILES [?]:
CCCN(CCC)C(=O)c1cc(nn1c2cc(ccc2C)C)c3ccccc3
InChi [?]:
InChI=1/C24H29N3O/c1-5-14-26(15-6-2)24(28)23-17-21(20-10-8-7-9-11-20)25-27(23)22-16-18(3)12-13-19(22)4/h7-13,16-17H,5-6,14-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,7,22,21,2,6,26,25,27,24,28,18,19,3,5,16,11,17,20,23,12,15,10,8,13,4,14,9/E:(1,2)(5,6)(8,9)(10,11)(14,15)/rA:28nCCCNCCCCOCCCNNCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;d10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s20;s17;s12;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H29N3O |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4542 |
Area: | 601.423 |
Solvation: | -2.58138 |
Coulombic: | -25.822 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 375.507 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.81 |
LogP (Chemaxon): | 5.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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