Home Other Building Blocks 3-(1-methyl-1H-pyrazol-5-yl)cyclohexan-1-one

3-(1-methyl-1H-pyrazol-5-yl)cyclohexan-1-one

CAS No.:
1339391-36-4
Catalog Number:
AG01BG2K
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
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Product Description
Catalog Number:
AG01BG2K
Chemical Name:
3-(1-methyl-1H-pyrazol-5-yl)cyclohexan-1-one
CAS Number:
1339391-36-4
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
MDL Number:
MFCD20336548
IUPAC Name:
3-(2-methylpyrazol-3-yl)cyclohexan-1-one
InChI:
InChI=1S/C10H14N2O/c1-12-10(5-6-11-12)8-3-2-4-9(13)7-8/h5-6,8H,2-4,7H2,1H3
InChI Key:
XVWKRIWRPGKOIL-UHFFFAOYSA-N
SMILES:
O=C1CCCC(C1)c1ccnn1C
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.111g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.235g/mol
Monoisotopic Mass:
178.111g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties