Home Other Building Blocks 1-[1-(cyclobutylmethyl)-1H-pyrazol-4-yl]ethan-1-one

1-[1-(cyclobutylmethyl)-1H-pyrazol-4-yl]ethan-1-one

CAS No.:
1481327-98-3
Catalog Number:
AG01C7Q2
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
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Product Description
Catalog Number:
AG01C7Q2
Chemical Name:
1-[1-(cyclobutylmethyl)-1H-pyrazol-4-yl]ethan-1-one
CAS Number:
1481327-98-3
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
MDL Number:
MFCD21241276
IUPAC Name:
1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanone
InChI:
InChI=1S/C10H14N2O/c1-8(13)10-5-11-12(7-10)6-9-3-2-4-9/h5,7,9H,2-4,6H2,1H3
InChI Key:
VOSRWRCCSDKDRW-UHFFFAOYSA-N
SMILES:
CC(=O)c1cnn(c1)CC1CCC1
Properties
Complexity:
201  
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:
3  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties