Home Other Building Blocks 5-(adamantan-1-yl)-1H-pyrazol-3-amine

5-(adamantan-1-yl)-1H-pyrazol-3-amine

CAS No.:
153566-21-3
Catalog Number:
AG01AJNL
Molecular Formula:
C13H19N3
Molecular Weight:
217.3101
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Product Description
Catalog Number:
AG01AJNL
Chemical Name:
5-(adamantan-1-yl)-1H-pyrazol-3-amine
CAS Number:
153566-21-3
Molecular Formula:
C13H19N3
Molecular Weight:
217.3101
MDL Number:
MFCD19686284
IUPAC Name:
5-(1-adamantyl)-1H-pyrazol-3-amine
InChI:
InChI=1S/C13H19N3/c14-12-4-11(15-16-12)13-5-8-1-9(6-13)3-10(2-8)7-13/h4,8-10H,1-3,5-7H2,(H3,14,15,16)
InChI Key:
QQDOAENFCVMKSC-UHFFFAOYSA-N
SMILES:
Nc1cc([nH]n1)C12CC3CC(C2)CC(C1)C3
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.158g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
217.316g/mol
Monoisotopic Mass:
217.158g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties