Home Carboxys rac-(3R,4S)-1-benzyl-4-(1,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid, trans

rac-(3R,4S)-1-benzyl-4-(1,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid, trans

CAS No.:
1969288-27-4
Catalog Number:
AG01B5DI
Molecular Formula:
C17H21N3O2
Molecular Weight:
299.3675
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B5DI
Chemical Name:
rac-(3R,4S)-1-benzyl-4-(1,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid, trans
CAS Number:
1969288-27-4
Molecular Formula:
C17H21N3O2
Molecular Weight:
299.3675
MDL Number:
MFCD30181813
IUPAC Name:
(3S,4R)-1-benzyl-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C17H21N3O2/c1-12-14(8-18-19(12)2)15-10-20(11-16(15)17(21)22)9-13-6-4-3-5-7-13/h3-8,15-16H,9-11H2,1-2H3,(H,21,22)/t15-,16+/m0/s1
InChI Key:
MRKZBJIKZDXXHD-JKSUJKDBSA-N
SMILES:
OC(=O)[C@@H]1CN(C[C@H]1c1cnn(c1C)C)Cc1ccccc1
Properties
Complexity:
397  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
299.163g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
299.374g/mol
Monoisotopic Mass:
299.163g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties