Home Other Building Blocks 2-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]cyclopentan-1-one

2-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]cyclopentan-1-one

CAS No.:
1497927-18-0
Catalog Number:
AG01B5IH
Molecular Formula:
C11H16N2O
Molecular Weight:
192.2575
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Product Description
Catalog Number:
AG01B5IH
Chemical Name:
2-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]cyclopentan-1-one
CAS Number:
1497927-18-0
Molecular Formula:
C11H16N2O
Molecular Weight:
192.2575
MDL Number:
MFCD21313367
IUPAC Name:
2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopentan-1-one
InChI:
InChI=1S/C11H16N2O/c1-8-6-10(13(2)12-8)7-9-4-3-5-11(9)14/h6,9H,3-5,7H2,1-2H3
InChI Key:
JQCPGQVJZMXZRB-UHFFFAOYSA-N
SMILES:
O=C1CCCC1Cc1cc(nn1C)C
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.126g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.262g/mol
Monoisotopic Mass:
192.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties