Home Other Building Blocks 1H-Pyrazol-3-ol, 5-methyl- (9CI)

1H-Pyrazol-3-ol, 5-methyl- (9CI)

CAS No.:
145091-87-8
Catalog Number:
AG001KK5
Molecular Formula:
C4H6N2O
Molecular Weight:
98.1032
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Product Description
Catalog Number:
AG001KK5
Chemical Name:
1H-Pyrazol-3-ol, 5-methyl- (9CI)
CAS Number:
145091-87-8
Molecular Formula:
C4H6N2O
Molecular Weight:
98.1032
MDL Number:
MFCD00129672
IUPAC Name:
5-methyl-1,2-dihydropyrazol-3-one
InChI:
InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)
InChI Key:
WGVHNCAJPFIFCR-UHFFFAOYSA-N
SMILES:
Oc1n[nH]c(c1)C
UNII:
P378M0497D
NSC Number:
265335
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.048g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
98.105g/mol
Monoisotopic Mass:
98.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Literature
Title Journal
5-Methyl-1-[(4-methyl-phen-yl)sulfon-yl]-1H-pyrazol-3-yl 4-methyl-benzene-sulfonate. Acta crystallographica. Section E, Structure reports online 20120701
Solvent-free, microwave assisted Knoevenagel condensation of novel 2,5-disubstituted indole analogues and their biological evaluation. European journal of medicinal chemistry 20111201
Green one pot solvent-free synthesis of pyrano[2,3-c]-pyrazoles and pyrazolo[1,5-a]pyrimidines. Molecules (Basel, Switzerland) 20100920
Tautomerism-dependent ring construction of N-heterocyclic compounds from the reactions of 1-alkynyl Fischer carbene complexes and substituted pyrazolinones. The Journal of organic chemistry 20061222
A highly efficient photochemical bromination as a new method for preparation of mono, bis and fused pyrazole derivatives. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20020201
Properties