Home Other Building Blocks 5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-2-one

5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-2-one

CAS No.:
1367709-65-6
Catalog Number:
AG01C4OG
Molecular Formula:
C9H13N3O
Molecular Weight:
179.2190
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Product Description
Catalog Number:
AG01C4OG
Chemical Name:
5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CAS Number:
1367709-65-6
Molecular Formula:
C9H13N3O
Molecular Weight:
179.2190
MDL Number:
MFCD22065424
IUPAC Name:
5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-2-one
InChI:
InChI=1S/C9H13N3O/c1-5-9(6(2)12-11-5)7-3-4-8(13)10-7/h7H,3-4H2,1-2H3,(H,10,13)(H,11,12)
InChI Key:
KBPXZNHKOGHCEZ-UHFFFAOYSA-N
SMILES:
O=C1CCC(N1)c1c(C)n[nH]c1C
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.106g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
179.223g/mol
Monoisotopic Mass:
179.106g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties