ChemDB: Chemical Search
Download
Chemical ID: 5982514
Chemical ID:
5982514
Name [?]:
5-(3-methoxyphenyl)-N-propyl-2-(p-tolyl)pyrazole-3-carboxamide
SMILES [?]:
CCCNC(=O)c1cc(nn1c2ccc(cc2)C)c3cccc(c3)OC
InChi [?]:
InChI=1/C21H23N3O2/c1-4-12-22-21(25)20-14-19(16-6-5-7-18(13-16)26-3)23-24(20)17-10-8-15(2)9-11-17/h5-11,13-14H,4,12H2,1-3H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,18,26,2,21,20,22,14,16,13,17,3,24,8,15,19,12,23,9,7,5,4,10,11,6,25/E:(8,9)(10,11)/rA:26nCCCNCOCCCNNCCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s7s10;s11;s12;d13;s14;d15;d12s16;s15;s9;s19;d20;s21;d22;d19s23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H23N3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6116 |
Area: | 592.172 |
Solvation: | -4.1927 |
Coulombic: | -35.805 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 349.426 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.57 |
LogP (Chemaxon): | 3.77 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|