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Home > Other Heterocycles > 1423117-40-1
1423117-40-1 | 3-[(1-cyclopentyl-1H-pyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CAS No: 1423117-40-1 Catalog No: AG01AEH1 MDL No:MFCD27920142
Product Description
Catalog Number:
AG01AEH1
Chemical Name:
3-[(1-cyclopentyl-1H-pyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CAS Number:
1423117-40-1
Molecular Formula:
C16H25N3O
Molecular Weight:
275.3892
MDL Number:
MFCD27920142
IUPAC Name:
3-[(1-cyclopentylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
InChI:
InChI=1S/C16H25N3O/c20-16(9-12-5-6-13(10-16)17-12)11-14-7-8-19(18-14)15-3-1-2-4-15/h7-8,12-13,15,17,20H,1-6,9-11H2
InChI Key:
YNSLELSFZXQKQY-UHFFFAOYSA-N
SMILES:
OC1(CC2CCC(C1)N2)Cc1ccn(n1)C1CCCC1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.2g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.396g/mol
Monoisotopic Mass:
275.2g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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