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tert-butyl (3S)-3-(1H-pyrazol-3-yl)azepane-1-carboxylate

tert-butyl (3S)-3-(1H-pyrazol-3-yl)azepane-1-carboxylate

CAS: 2380893-98-9

Formula: C14H23N3O2

SMILES: CC(C)(C)OC(=O)N1CCCC[C@@H](C1)C1=NNC=C1

IUPAC: tert-butyl (3S)-3-(1H-pyrazol-3-yl)azepane-1-carboxylate

InChI: InChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-9-5-4-6-11(10-17)12-7-8-15-16-12/h7-8,11H,4-6,9-10H2,1-3H3,(H,15,16)/t11-/m0/s1

Composition: C (63.37%), H (8.74%), N (15.84%), O (12.06%)

Molar Mass: 265.357

Atom Count: 42

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 265.179026993
Formal Charge 0
FSP3 0.71
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DLUCEDVVICPVDR-NSHDSACASA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.21
Topological Polar Surface Area 58.22
Polarizability 28.57
Ring Count 2
Rotatable Bond Count 3

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97% <5 Days 2380893-98-9 $373.26-$597.71$373.26$597.71
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