Common name
1,2-dimethyl-3H-pyrazol-5-amine
IUPAC name
1,2-dimethyl-3H-pyrazol-5-amine
SMILES
NC1=CCN(N1C)C
Common name
1,2-dimethyl-3H-pyrazol-5-amine
IUPAC name
1,2-dimethyl-3H-pyrazol-5-amine
SMILES
NC1=CCN(N1C)C
INCHI
InChI=1S/C5H11N3/c1-7-4-3-5(6)8(7)2/h3H,4,6H2,1-2H3
FORMULA
C5H11N3
Common name
1,2-dimethyl-3H-pyrazol-5-amine
IUPAC name
1,2-dimethyl-3H-pyrazol-5-amine
Molecular weight
113.161
clogP
-1.033
clogS
0.509
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
32.5
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01647 | Ceftolozane |
|
used in combination with metronidazole. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2g1q_ligand_frag_1.mol2 | 2g1q | 0.276923 | -5.72 | C1NN(CC1)C(=O)N | 8 |
| 2g1q_ligand_1_2.mol2 | 2g1q | 0.257143 | -6.01 | C1NN([C@H](C1)C)C(=O)N | 9 |
| 1py2_ligand_frag_7.mol2 | 1py2 | 0.254902 | -5.21 | C1CCNN1C | 6 |
| 2g1q_ligand_2_10.mol2 | 2g1q | 0.243243 | -6.02 | C1NN([C@H](C1)CC)C(=O)N | 10 |
| 2g1q_ligand_1_3.mol2 | 2g1q | 0.243243 | -5.93 | C(C)NC(=O)N1NCCC1 | 10 |
| 1ctt_ligand_frag_0.mol2 | 1ctt | 0.24 | -6.36 | N1C(=O)NCC=C1 | 7 |
| 4o2p_ligand_2_23.mol2 | 4o2p | 0.234568 | -6.09 | S=C1NC[C@@H]2[C@H](N1)N(NC2)C | 11 |
| 3fi2_ligand_frag_5.mol2 | 3fi2 | 0.229167 | -5.64 | C1N[NH2+]CC1 | 5 |
145 ,
15
