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876299-97-7 | 3-(tert-Butyl);-1-(pyridin-3-yl);-1H-pyrazol-5-amine
CAS No: 876299-97-7 Catalog No: AG003IA9 MDL No:MFCD11656760
Product Description
Catalog Number:
AG003IA9
Chemical Name:
3-(tert-Butyl);-1-(pyridin-3-yl);-1H-pyrazol-5-amine
CAS Number:
876299-97-7
Molecular Formula:
C12H16N4
Molecular Weight:
216.2822
MDL Number:
MFCD11656760
IUPAC Name:
5-tert-butyl-2-pyridin-3-ylpyrazol-3-amine
InChI:
InChI=1S/C12H16N4/c1-12(2,3)10-7-11(13)16(15-10)9-5-4-6-14-8-9/h4-8H,13H2,1-3H3
InChI Key:
PKZOPZWDEDXAED-UHFFFAOYSA-N
SMILES:
Nc1cc(nn1c1cccnc1)C(C)(C)C
Properties
Complexity:
236
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:
2
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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