Home Halogens 1-(4-chlorophenyl)-N-{3-cyano-4-[4-(morpholin-4-yl)piperidin-1-yl]phenyl}-5-methylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-{3-cyano-4-[4-(morpholin-4-yl)piperidin-1-yl]phenyl}-5-methylpyrazole-4-carboxamide

CAS No.:
288250-47-5
Catalog Number:
AG002WO3
Molecular Formula:
C27H29ClN6O2
Molecular Weight:
505.0112
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
99%
1 week
United States
$203
- +
10mg
99%
1 week
United States
$265
- +
50mg
99%
1 week
United States
$765
- +
100mg
99%
1 week
United States
$1265
- +
Product Description
Catalog Number:
AG002WO3
Chemical Name:
1-(4-chlorophenyl)-N-{3-cyano-4-[4-(morpholin-4-yl)piperidin-1-yl]phenyl}-5-methylpyrazole-4-carboxamide
CAS Number:
288250-47-5
Molecular Formula:
C27H29ClN6O2
Molecular Weight:
505.0112
MDL Number:
MFCD28099803
IUPAC Name:
1-(4-chlorophenyl)-N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-5-methylpyrazole-4-carboxamide
InChI:
InChI=1S/C27H29ClN6O2/c1-19-25(18-30-34(19)24-5-2-21(28)3-6-24)27(35)31-22-4-7-26(20(16-22)17-29)33-10-8-23(9-11-33)32-12-14-36-15-13-32/h2-7,16,18,23H,8-15H2,1H3,(H,31,35)
InChI Key:
BWZNJVZTAWBIFG-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1N1CCC(CC1)N1CCOCC1)NC(=O)c1cnn(c1C)c1ccc(cc1)Cl
Properties
Complexity:
784  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
504.204g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
505.019g/mol
Monoisotopic Mass:
504.204g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties