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2059974-53-5

2059974-53-5 | 3-cyclopropyl-6-(1-methyl-1H-pyrazol-5-yl)-7-oxa-3-azabicyclo[4.1.0]heptane

CAS No: 2059974-53-5 Catalog No: AG01BQCP MDL No:MFCD30501281

Product Description

Catalog Number:
AG01BQCP
Chemical Name:
3-cyclopropyl-6-(1-methyl-1H-pyrazol-5-yl)-7-oxa-3-azabicyclo[4.1.0]heptane
CAS Number:
2059974-53-5
Molecular Formula:
C12H17N3O
Molecular Weight:
219.2829
MDL Number:
MFCD30501281
IUPAC Name:
3-cyclopropyl-6-(2-methylpyrazol-3-yl)-7-oxa-3-azabicyclo[4.1.0]heptane
InChI:
InChI=1S/C12H17N3O/c1-14-10(4-6-13-14)12-5-7-15(9-2-3-9)8-11(12)16-12/h4,6,9,11H,2-3,5,7-8H2,1H3
InChI Key:
QZMDRNMVDMUBLK-UHFFFAOYSA-N
SMILES:
Cn1nccc1C12CCN(CC2O1)C1CC1

Properties

Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.137g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.288g/mol
Monoisotopic Mass:
219.137g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

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