ChemDB: Chemical Search
Download
Chemical ID: 5991735
Chemical ID:
5991735
Name [?]:
N-(1,2-dimethylpropyl)-2-(4-methoxyphenyl)-5-(5-methyl-2-furyl)-pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(o1)c2cc(n(n2)c3ccc(cc3)OC)C(=O)NC(C)C(C)C
InChi [?]:
InChI=1/C21H25N3O3/c1-13(2)15(4)22-21(25)19-12-18(20-11-6-14(3)27-20)23-24(19)16-7-9-17(26-5)10-8-16/h6-13,15H,1-5H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:26,27,1,24,19,3,13,17,14,16,4,8,25,2,23,12,15,7,9,5,20,22,11,10,21,18,6/E:(1,2)(7,8)(9,10)/rA:27cCCCCCOCCCNNCCCCCCOCCONCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s15;s18;s9;d20;s20;s22;s23;s23;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25N3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0435 |
Area: | 606.644 |
Solvation: | -4.12256 |
Coulombic: | -42.8708 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 367.442 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.83 |
LogP (Chemaxon): | 3.08 |
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 |
---|