6994-25-8
C₆H₉N₃O₂·155.150 g/mol·CID 81472
IUPAC: ethyl 5-amino-1H-pyrazole-4-carboxylate
Also known as: Ethyl 3-amino-1H-pyrazole-4-carboxylate, ethyl APC, RefChem:594795, 230-262-3, ethyl 5-amino-1H-pyrazole-4-carboxylate (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
155.150g/mol
Exact Mass
155.069477Da
Monoisotopic Mass
155.069477Da
XLogP
0.6
Polar Surface Area
81.0Ų
Complexity
151
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
4
Rotatable Bonds
3
Heavy Atoms
11
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 155.2 g/mol
MW ≤ 500
✓ 0.6
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H302Harmful if swallowedH317May cause an allergic skin reactionH319Causes serious eye irritationH400Very toxic to aquatic lifeH410Very toxic to aquatic life with long lasting effects
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C6H9N3O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H3,7,8,9)
Isomers8 compounds with formula C₆H₉N₃O₂
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid
CID 6274 · 155.2 g/mol
(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoate
CID 6971009 · 155.2 g/mol
(2R)-2-amino-3-(1H-imidazol-5-yl)propanoic acid
CID 71083 · 155.2 g/mol
4,6-dimethoxypyrimidin-2-amine
CID 118946 · 155.2 g/mol
2-amino-3-(1H-imidazol-5-yl)propanoic acid
CID 773 · 155.2 g/mol
azanium N-oxido-N-phenylnitrous amide
CID 2724103 · 155.2 g/mol
6-amino-1,3-dimethylpyrimidine-2,4-dione
CID 81152 · 155.2 g/mol
2,6-dimethoxypyrimidin-4-amine
CID 76789 · 155.2 g/mol