Home Halogens 5-chloro-3-methyl-1-(2-methylpropyl)-4-(pyrrolidin-2-yl)-1H-pyrazole

5-chloro-3-methyl-1-(2-methylpropyl)-4-(pyrrolidin-2-yl)-1H-pyrazole

CAS No.:
1394041-83-8
Catalog Number:
AG019ZW9
Molecular Formula:
C12H20ClN3
Molecular Weight:
241.7603
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Product Description
Catalog Number:
AG019ZW9
Chemical Name:
5-chloro-3-methyl-1-(2-methylpropyl)-4-(pyrrolidin-2-yl)-1H-pyrazole
CAS Number:
1394041-83-8
Molecular Formula:
C12H20ClN3
Molecular Weight:
241.7603
MDL Number:
MFCD22375355
IUPAC Name:
5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole
InChI:
InChI=1S/C12H20ClN3/c1-8(2)7-16-12(13)11(9(3)15-16)10-5-4-6-14-10/h8,10,14H,4-7H2,1-3H3
InChI Key:
HZRKIQZSTBBORH-UHFFFAOYSA-N
SMILES:
CC(Cn1nc(c(c1Cl)C1CCCN1)C)C
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.135g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.763g/mol
Monoisotopic Mass:
241.135g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties