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

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

CAS: 6994-25-8

Formula: C6H9N3O2

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

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

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

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 YPXGHKWOJXQLQU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.53
Topological Polar Surface Area 81
Polarizability 14.62
Ring Count 1
Rotatable Bond Count 3

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Life Chemicals USA, Inc.
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95% <7 Days 6994-25-8 $17.82-$83.16$17.82$18.81$20.79$39.60$59.40$83.16
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