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3347-62-4 | 3-Methyl-5-phenyl-1H-pyrazole
CAS No: 3347-62-4 Catalog No: AG003JQA MDL No:MFCD00022385
Product Description
Catalog Number:
AG003JQA
Chemical Name:
3-Methyl-5-phenyl-1H-pyrazole
CAS Number:
3347-62-4
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
MDL Number:
MFCD00022385
IUPAC Name:
5-methyl-3-phenyl-1H-pyrazole
InChI:
InChI=1S/C10H10N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)
InChI Key:
QHRSESMSOJZMCO-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c(c1)c1ccccc1
EC Number:
222-099-1
UNII:
0XFX19D77A
NSC Number:
78454
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.204g/mol
Monoisotopic Mass:
158.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Highly efficient redox isomerisation of allylic alcohols catalysed by pyrazole-based ruthenium(IV) complexes in water: mechanisms of bifunctional catalysis in water. | Chemistry (Weinheim an der Bergstrasse, Germany) 20120618 |
| Di-μ-methano-lato-κ(4)O:O-bis-[bis-(3-methyl-5-phenyl-1H-pyrazole-κN(2))(nitrato-κO)copper(II)]. | Acta crystallographica. Section E, Structure reports online 20120401 |
| Synthesis and structure of ruthenium(IV) complexes featuring N-heterocyclic ligands with an N-H group as the hydrogen-bond donor: hydrogen interactions in solution and in the solid state. | Inorganic chemistry 20110606 |
| Hexa-μ(2)-chlorido-μ(4)-oxido-tetra-kis-[(3-methyl-5-phenyl-1H-pyrazole-κN)copper(II)]. | Acta crystallographica. Section E, Structure reports online 20110201 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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