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89144-92-3 | 1H-Pyrazole, 4,5-dihydro-1-methyl-3-phenyl-5-(1H-pyrrolyl)-
CAS No: 89144-92-3 Catalog No: AG003XI8 MDL No:
Product Description
Catalog Number:
AG003XI8
Chemical Name:
1H-Pyrazole, 4,5-dihydro-1-methyl-3-phenyl-5-(1H-pyrrolyl)-
CAS Number:
89144-92-3
Molecular Formula:
C14H15N3
Molecular Weight:
225.2890
IUPAC Name:
2-methyl-5-phenyl-3-pyrrol-1-yl-3,4-dihydropyrazole
InChI:
InChI=1S/C14H15N3/c1-16-14(17-9-5-6-10-17)11-13(15-16)12-7-3-2-4-8-12/h2-10,14H,11H2,1H3
InChI Key:
KNGZSLZVWCKZGX-UHFFFAOYSA-N
SMILES:
CN1N=C(CC1n1cccc1)c1ccccc1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.127g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.295g/mol
Monoisotopic Mass:
225.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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