Home Other Building Blocks 1-(1-methyl-1H-pyrazol-4-yl)-2-(pyrrolidin-2-yl)ethan-1-one dihydrochloride

1-(1-methyl-1H-pyrazol-4-yl)-2-(pyrrolidin-2-yl)ethan-1-one dihydrochloride

CAS No.:
1423025-51-7
Catalog Number:
AG01A1H1
Molecular Formula:
C10H17Cl2N3O
Molecular Weight:
266.1675
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Product Description
Catalog Number:
AG01A1H1
Chemical Name:
1-(1-methyl-1H-pyrazol-4-yl)-2-(pyrrolidin-2-yl)ethan-1-one dihydrochloride
CAS Number:
1423025-51-7
Molecular Formula:
C10H17Cl2N3O
Molecular Weight:
266.1675
MDL Number:
MFCD22421835
IUPAC Name:
1-(1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
InChI:
InChI=1S/C10H15N3O.2ClH/c1-13-7-8(6-12-13)10(14)5-9-3-2-4-11-9;;/h6-7,9,11H,2-5H2,1H3;2*1H
InChI Key:
SLKVMGXAQPYCAB-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)C(=O)CC1CCCN1.Cl.Cl
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.075g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
266.166g/mol
Monoisotopic Mass:
265.075g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties