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1131-16-4,MFCD00020728
Catalog No.:AA003ILO
1131-16-4 | 3,5-Dimethyl-1-phenyl-1h-pyrazole
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Technical Information
Catalog Number:
AA003ILO
Chemical Name:
3,5-Dimethyl-1-phenyl-1h-pyrazole
CAS Number:
1131-16-4
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
MDL Number:
MFCD00020728
IUPAC Name:
3,5-dimethyl-1-phenylpyrazole
InChI:
InChI=1S/C11H12N2/c1-9-8-10(2)13(12-9)11-6-4-3-5-7-11/h3-8H,1-2H3
InChI Key:
ULPMPUPEFBDQQA-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)C)c1ccccc1
EC Number:
214-462-8
UNII:
0SB52BXX7M
Properties
Computed Properties
 
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Synonyms
 
1131-16-4 
3,5-Dimethyl-1-phenylpyrazole 
MFCD00020728 
Phenyldimethylpyrazole 
EINECS 214-462-8 
Enamine_001158 
AC1Q2IGB 
AC1Q4VKY 
Pyrazole, dimethylphenyl- 
ACMC-2099hc 
AC1L2EW1 
Cambridge id 5118886 
3,5-Dimethyl-1-phenyl-1H-pyrazole 
SCHEMBL964125 
1-phenyl-3,5-dimethylpyrazole 
AMBZ0099 
DTXSID9061546 
3,5-dimethyl-1-phenyl-pyrazole 
CTK4A8105 
HMS1397E14 
ZINC281086 
ALBB-009320 
1-Phenyl-3,5-dimethyl-1H-pyrazole 
1H-Pyrazole, 3,5-dimethyl-1-phenyl- 
8989AC 
ANW-16558 
BBL010616 
SBB029901 
STK085560 
AKOS000307991 
AM85483 
AS-5199 
MCULE-2017250651 
3,5-Dimethyl-1-phenyl-1H-pyrazole # 
Dimethylphenylpyrazole 
KS-000017K7 
NCGC00334027-01 
AN-16625 
ZB010114 
LS-128486 
TR-030835 
D2834 
FT-0614658 
R1408 
ST50102013 
UNII-0SB52BXX7M 
AB01329175-02 
I14-11487 
Z50145860 
C11H12N2 
CID70800 
AR-1E9736 
ZINC00281086 
C11-H12-N2 
A2290 
10250-58-5 
1H-Pyrazole,3,5-dimethyl-1-phenyl- 
114582-77-3 
0SB52BXX7M 
1,3-dimethyl-5-phenylpyrazole 
ULPMPUPEFBDQQA-UHFFFAOYSA-N 
Literature

Title: Intramolecular pi-stacking in a phenylpyrazole-based iridium complex and its use in light-emitting electrochemical cells.

Journal: Journal of the American Chemical Society 20100505

Title: Dichloridobis(3,5-dimethyl-1H-pyrazol-4-amine-κN)cobalt(II).

Journal: Acta crystallographica. Section E, Structure reports online 20080801

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