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Home > Imidazoles > 116477-00-0
116477-00-0 | 1H-Pyrazole, 1-[2-(1H-imidazol-1-yl)ethyl]-
CAS No: 116477-00-0 Catalog No: AG000CLJ MDL No:
Product Description
Catalog Number:
AG000CLJ
Chemical Name:
1H-Pyrazole, 1-[2-(1H-imidazol-1-yl)ethyl]-
CAS Number:
116477-00-0
Molecular Formula:
C8H10N4
Molecular Weight:
162.1918
IUPAC Name:
1-(2-imidazol-1-ylethyl)pyrazole
InChI:
InChI=1S/C8H10N4/c1-2-10-12(4-1)7-6-11-5-3-9-8-11/h1-5,8H,6-7H2
InChI Key:
OYPIQEFOJYVBRL-UHFFFAOYSA-N
SMILES:
n1ccn(c1)CCn1cccn1
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.091g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.196g/mol
Monoisotopic Mass:
162.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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