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ethyl 6-ethyl-2-phenyl-1H,2H,3H-pyrazolo[1,5-a]imidazole-7-carboxylate

ethyl 6-ethyl-2-phenyl-1H,2H,3H-pyrazolo[1,5-a]imidazole-7-carboxylate

CAS: 1986550-37-1

Formula: C16H19N3O2

SMILES: CCOC(=O)C1=C2NC(CN2N=C1CC)C1=CC=CC=C1

IUPAC: ethyl 6-ethyl-2-phenyl-1H,2H,3H-pyrazolo[1,5-a]imidazole-7-carboxylate

InChI: InChI=1/C16H19N3O2/c1-3-12-14(16(20)21-4-2)15-17-13(10-19(15)18-12)11-8-6-5-7-9-11/h5-9,13,17H,3-4,10H2,1-2H3

Composition: C (67.35%), H (6.71%), N (14.73%), O (11.21%)

Molar Mass: 285.347

Atom Count: 40

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 285.147726864
Formal Charge 0
FSP3 0.37
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey QTGKCCATQFZSNL-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 92.71
Topological Polar Surface Area 56.15
Polarizability 30.61
Ring Count 3
Rotatable Bond Count 5

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 1986550-37-1 $51.35-$86.31$51.35$63.37$86.31
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