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Chemical ID: 5985897
Chemical ID:
5985897
Name [?]:
5-(2,4-dimethoxyphenyl)-2-phenyl-N,N-dipropyl-pyrazole-3-carboxamide
SMILES [?]:
CCCN(CCC)C(=O)c1cc(nn1c2ccccc2)c3ccc(cc3OC)OC
InChi [?]:
InChI=1/C24H29N3O3/c1-5-14-26(15-6-2)24(28)22-17-21(25-27(22)18-10-8-7-9-11-18)20-13-12-19(29-3)16-23(20)30-4/h7-13,16-17H,5-6,14-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,7,30,28,2,6,18,17,19,16,20,23,22,3,5,25,11,15,24,21,12,10,26,8,13,4,14,9,29,27/E:(1,2)(5,6)(8,9)(10,11)(14,15)/rA:30nCCCNCCCCOCCCNNCCCCCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;d10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s12;s21;d22;s23;d24;d21s25;s26;s27;s24;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H29N3O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0442 |
Area: | 630.806 |
Solvation: | -5.72596 |
Coulombic: | -37.9762 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 407.505 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.97 |
LogP (Chemaxon): | 4.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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