Home Other Building Blocks rac-4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methyl-1H-pyrazole dihydrochloride, trans

rac-4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methyl-1H-pyrazole dihydrochloride, trans

CAS No.:
1969288-74-1
Catalog Number:
AG01B5AM
Molecular Formula:
C10H19Cl2N3O
Molecular Weight:
268.1834
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Product Description
Catalog Number:
AG01B5AM
Chemical Name:
rac-4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methyl-1H-pyrazole dihydrochloride, trans
CAS Number:
1969288-74-1
Molecular Formula:
C10H19Cl2N3O
Molecular Weight:
268.1834
MDL Number:
MFCD30012443
IUPAC Name:
4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole;dihydrochloride
InChI:
InChI=1S/C10H17N3O.2ClH/c1-13-6-8(4-12-13)10-5-11-3-9(10)7-14-2;;/h4,6,9-11H,3,5,7H2,1-2H3;2*1H/t9-,10-;;/m0../s1
InChI Key:
QSQCFGKBMOHXMH-BZDVOYDHSA-N
SMILES:
COC[C@@H]1CNC[C@H]1c1cnn(c1)C.Cl.Cl
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
267.091g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
268.182g/mol
Monoisotopic Mass:
267.091g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties