Home Other Building Blocks 1-[(4-tert-butylphenyl)methyl]-1H-pyrazol-5-amine

1-[(4-tert-butylphenyl)methyl]-1H-pyrazol-5-amine

CAS No.:
956780-06-6
Catalog Number:
AG019OJ3
Molecular Formula:
C14H19N3
Molecular Weight:
229.3208
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Product Description
Catalog Number:
AG019OJ3
Chemical Name:
1-[(4-tert-butylphenyl)methyl]-1H-pyrazol-5-amine
CAS Number:
956780-06-6
Molecular Formula:
C14H19N3
Molecular Weight:
229.3208
MDL Number:
MFCD07330842
IUPAC Name:
2-[(4-tert-butylphenyl)methyl]pyrazol-3-amine
InChI:
InChI=1S/C14H19N3/c1-14(2,3)12-6-4-11(5-7-12)10-17-13(15)8-9-16-17/h4-9H,10,15H2,1-3H3
InChI Key:
AVDQVRFFOMTZJH-UHFFFAOYSA-N
SMILES:
Nc1ccnn1Cc1ccc(cc1)C(C)(C)C
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.158g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.327g/mol
Monoisotopic Mass:
229.158g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties