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ethyl 1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylate

ethyl 1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylate

CAS: 842137-77-3

Formula: C11H16N2O2

SMILES: CCOC(=O)C1=NNC2=C1CCCCC2

IUPAC: ethyl 1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylate

InChI: InChI=1S/C11H16N2O2/c1-2-15-11(14)10-8-6-4-3-5-7-9(8)12-13-10/h2-7H2,1H3,(H,12,13)

Composition: C (63.44%), H (7.74%), N (13.45%), O (15.36%)

Molar Mass: 208.261

Atom Count: 31

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 208.121177763
Formal Charge 0
FSP3 0.64
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey JWDQKFKVGKGCCA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.26
Topological Polar Surface Area 54.98
Polarizability 21.75
Ring Count 2
Rotatable Bond Count 3

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