Home Other Building Blocks 1-benzyl-3-(propan-2-yl)-1H-pyrazol-5-amine

1-benzyl-3-(propan-2-yl)-1H-pyrazol-5-amine

CAS No.:
1154569-05-7
Catalog Number:
AG01A0B4
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
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Product Description
Catalog Number:
AG01A0B4
Chemical Name:
1-benzyl-3-(propan-2-yl)-1H-pyrazol-5-amine
CAS Number:
1154569-05-7
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
MDL Number:
MFCD12168868
IUPAC Name:
2-benzyl-5-propan-2-ylpyrazol-3-amine
InChI:
InChI=1S/C13H17N3/c1-10(2)12-8-13(14)16(15-12)9-11-6-4-3-5-7-11/h3-8,10H,9,14H2,1-2H3
InChI Key:
NKFGUVGGLFKUIE-UHFFFAOYSA-N
SMILES:
CC(c1nn(c(c1)N)Cc1ccccc1)C
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.142g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.3g/mol
Monoisotopic Mass:
215.142g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties