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145162-51-2 | 1H-Pyrazole, 1-[(4-methoxyphenyl)methyl]-
CAS No: 145162-51-2 Catalog No: AG001KMW MDL No:
Product Description
Catalog Number:
AG001KMW
Chemical Name:
1H-Pyrazole, 1-[(4-methoxyphenyl)methyl]-
CAS Number:
145162-51-2
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
1-[(4-methoxyphenyl)methyl]pyrazole
InChI:
InChI=1S/C11H12N2O/c1-14-11-5-3-10(4-6-11)9-13-8-2-7-12-13/h2-8H,9H2,1H3
InChI Key:
DFJJBKFWYFQQIE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1cccn1
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Sequential functionalization of pyrazole 1-oxides via regioselective metalation: synthesis of 3,4,5-trisubstituted 1-hydroxypyrazoles. | The Journal of organic chemistry 20020531 |
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