Common name
5-methyl-1H-pyrazole
IUPAC name
5-methyl-1H-pyrazole
SMILES
[nH]1nccc1C
Common name
5-methyl-1H-pyrazole
IUPAC name
5-methyl-1H-pyrazole
SMILES
[nH]1nccc1C
INCHI
InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)
FORMULA
C4H6N2
Common name
5-methyl-1H-pyrazole
IUPAC name
5-methyl-1H-pyrazole
Molecular weight
82.104
clogP
1.559
clogS
-1.205
Frequency
0.0010
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
28.68
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00159 | Betazole |
|
Gastrointestinal Agents; Histamine Agonists; Diagnostic Agents; Tests for Gastric Secretion; | For use clinically to test gastric secretory function. |
| FDBD01611 | Epirizole |
|
Anti-Inflammatory Agents, Non-Steroidal; | |
| FDBD01735 | Mepiprazole |
|
; | For the treatment of anxiety neuroses. |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2uw4_ligand_frag_0.mol2 | 2uw4 | 1 | -6.23 | Cc1[nH+][nH]cc1 | 6 |
| 2xa4_ligand_frag_0.mol2 | 2xa4 | 1 | -6.21 | c1c([nH+][nH]c1)C | 6 |
| 3e5a_ligand_frag_3.mol2 | 3e5a | 1 | -6.21 | c1cc([nH+][nH]1)C | 6 |
| 4f65_ligand_1_1.mol2 | 4f65 | 1 | -6.19 | Cc1cc[nH][nH+]1 | 6 |
| 5d11_ligand_frag_3.mol2 | 5d11 | 1 | -6.18 | c1cc([nH+][nH]1)C | 6 |
| 2xyn_ligand_frag_3.mol2 | 2xyn | 1 | -6.15 | c1cc([nH+][nH]1)C | 6 |
185 ,
19
