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23429-65-4 | 1H-Pyrazole, 4,5-dihydro-5-methyl-1-(4-methylphenyl)-
CAS No: 23429-65-4 Catalog No: AG002N74 MDL No:
Product Description
Catalog Number:
AG002N74
Chemical Name:
1H-Pyrazole, 4,5-dihydro-5-methyl-1-(4-methylphenyl)-
CAS Number:
23429-65-4
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
IUPAC Name:
3-methyl-2-(4-methylphenyl)-3,4-dihydropyrazole
InChI:
InChI=1S/C11H14N2/c1-9-3-5-11(6-4-9)13-10(2)7-8-12-13/h3-6,8,10H,7H2,1-2H3
InChI Key:
CLRIEQZURAMWBW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N1N=CCC1C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.116g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.247g/mol
Monoisotopic Mass:
174.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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