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Home Aldehydes 1H-Pyrazole-4-carboxaldehyde, 3-methyl-1-phenyl-5-(1-pyrrolidinyl)-

1H-Pyrazole-4-carboxaldehyde, 3-methyl-1-phenyl-5-(1-pyrrolidinyl)-

CAS No.:
713496-46-9
Catalog Number:
AG00IC5U
Molecular Formula:
C15H17N3O
Molecular Weight:
255.3150
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Product Description
Catalog Number:
AG00IC5U
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 3-methyl-1-phenyl-5-(1-pyrrolidinyl)-
CAS Number:
713496-46-9
Molecular Formula:
C15H17N3O
Molecular Weight:
255.3150
MDL Number:
MFCD03948118
IUPAC Name:
3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C15H17N3O/c1-12-14(11-19)15(17-9-5-6-10-17)18(16-12)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3
InChI Key:
MXZAONCKLBCRQJ-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1N1CCCC1)c1ccccc1
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.137g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.321g/mol
Monoisotopic Mass:
255.137g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties