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ethyl 4-amino-1H-pyrazole-3-carboxylate

ethyl 4-amino-1H-pyrazole-3-carboxylate

CAS: 55904-61-5

Formula: C6H9N3O2

SMILES: CCOC(=O)C1=NNC=C1N

IUPAC: ethyl 4-amino-1H-pyrazole-3-carboxylate

InChI: InChI=1S/C6H9N3O2/c1-2-11-6(10)5-4(7)3-8-9-5/h3H,2,7H2,1H3,(H,8,9)

Composition: C (46.45%), H (5.85%), N (27.08%), O (20.62%)

Molar Mass: 155.157

Atom Count: 20

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 155.069476542
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey JLIFAQGFWIYWDA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.85
Topological Polar Surface Area 81
Polarizability 14.63
Ring Count 1
Rotatable Bond Count 3

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