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Home Nitros 3-(4-Chlorophenyl)-5-(4-nitrophenyl)-2-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one

3-(4-Chlorophenyl)-5-(4-nitrophenyl)-2-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one

CAS No.:
419547-11-8
Catalog Number:
AG01ENJW
Molecular Formula:
C25H17ClN4O3
Molecular Weight:
456.8805
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
98%
1 week
United States
$154
- +
10mg
98%
1 week
United States
$223
- +
25mg
98%
1 week
United States
$390
- +
50mg
98%
1 week
United States
$598
- +
100mg
98%
1 week
United States
$973
- +
Product Description
Catalog Number:
AG01ENJW
Chemical Name:
3-(4-Chlorophenyl)-5-(4-nitrophenyl)-2-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CAS Number:
419547-11-8
Molecular Formula:
C25H17ClN4O3
Molecular Weight:
456.8805
MDL Number:
MFCD01455625
IUPAC Name:
2-benzyl-3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
InChI:
InChI=1S/C25H17ClN4O3/c26-19-10-6-18(7-11-19)24-22(14-16-4-2-1-3-5-16)28-29-23(31)15-21(27-25(24)29)17-8-12-20(13-9-17)30(32)33/h1-13,15,28H,14H2
InChI Key:
WHYGBVWGARJOCS-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1c(Cc2ccccc2)nn2c1[nH]c(cc2=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
871  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.099g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
456.886g/mol
Monoisotopic Mass:
456.099g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Properties