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1177355-64-4 | "2-(3,5-dimethyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)ethan-1-amine"
CAS No: 1177355-64-4 Catalog No: AG01FM0L MDL No:MFCD11576893
Product Description
Catalog Number:
AG01FM0L
Chemical Name:
"2-(3,5-dimethyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)ethan-1-amine"
CAS Number:
1177355-64-4
Molecular Formula:
C12H16N4
Molecular Weight:
216.2822
MDL Number:
MFCD11576893
IUPAC Name:
2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine
InChI:
InChI=1S/C12H16N4/c1-9-11(6-7-13)10(2)16(15-9)12-5-3-4-8-14-12/h3-5,8H,6-7,13H2,1-2H3
InChI Key:
CYTTYUOWSNHCFY-UHFFFAOYSA-N
SMILES:
NCCc1c(C)nn(c1C)c1ccccn1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.288g/mol
Monoisotopic Mass:
216.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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