Home Other Building Blocks [(1-phenyl-1H-pyrazol-4-yl)methyl](propan-2-yl)amine

[(1-phenyl-1H-pyrazol-4-yl)methyl](propan-2-yl)amine

CAS No.:
1152898-13-9
Catalog Number:
AG01A50M
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
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Product Description
Catalog Number:
AG01A50M
Chemical Name:
[(1-phenyl-1H-pyrazol-4-yl)methyl](propan-2-yl)amine
CAS Number:
1152898-13-9
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
MDL Number:
MFCD02656666
IUPAC Name:
N-[(1-phenylpyrazol-4-yl)methyl]propan-2-amine
InChI:
InChI=1S/C13H17N3/c1-11(2)14-8-12-9-15-16(10-12)13-6-4-3-5-7-13/h3-7,9-11,14H,8H2,1-2H3
InChI Key:
YXLAKWNIQKXAKT-UHFFFAOYSA-N
SMILES:
CC(NCc1cnn(c1)c1ccccc1)C
Properties
Complexity:
199  
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:
4  
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties