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Home > Other Heterocycles > 1874844-93-5
1874844-93-5 | 1-[1-(propan-2-yl)-1H-pyrazol-4-yl]-2-azaspiro[3.4]octane
CAS No: 1874844-93-5 Catalog No: AG01BQFJ MDL No:MFCD30501386
Product Description
Catalog Number:
AG01BQFJ
Chemical Name:
1-[1-(propan-2-yl)-1H-pyrazol-4-yl]-2-azaspiro[3.4]octane
CAS Number:
1874844-93-5
Molecular Formula:
C13H21N3
Molecular Weight:
219.3259
MDL Number:
MFCD30501386
IUPAC Name:
3-(1-propan-2-ylpyrazol-4-yl)-2-azaspiro[3.4]octane
InChI:
InChI=1S/C13H21N3/c1-10(2)16-8-11(7-15-16)12-13(9-14-12)5-3-4-6-13/h7-8,10,12,14H,3-6,9H2,1-2H3
InChI Key:
VVJMDTIUALFTKJ-UHFFFAOYSA-N
SMILES:
CC(n1ncc(c1)C1NCC21CCCC2)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.174g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.332g/mol
Monoisotopic Mass:
219.174g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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