Home Carboxys rac-(3R,4S)-4-(1-methyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid hydrochloride, trans

rac-(3R,4S)-4-(1-methyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid hydrochloride, trans

CAS No.:
1969288-15-0
Catalog Number:
AG01C5QZ
Molecular Formula:
C9H14ClN3O2
Molecular Weight:
231.6794
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Product Description
Catalog Number:
AG01C5QZ
Chemical Name:
rac-(3R,4S)-4-(1-methyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid hydrochloride, trans
CAS Number:
1969288-15-0
Molecular Formula:
C9H14ClN3O2
Molecular Weight:
231.6794
MDL Number:
MFCD30011426
IUPAC Name:
(3S,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C9H13N3O2.ClH/c1-12-5-6(2-11-12)7-3-10-4-8(7)9(13)14;/h2,5,7-8,10H,3-4H2,1H3,(H,13,14);1H/t7-,8-;/m1./s1
InChI Key:
JOKSYTADTOKCDV-SCLLHFNJSA-N
SMILES:
OC(=O)[C@@H]1CNC[C@H]1c1cnn(c1)C.Cl
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
231.077g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
231.68g/mol
Monoisotopic Mass:
231.077g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties