Home Aminos 5-amino-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide

5-amino-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide

CAS No.:
1187861-34-2
Catalog Number:
AG01AIPA
Molecular Formula:
C12H14N4O2
Molecular Weight:
246.2652
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Product Description
Catalog Number:
AG01AIPA
Chemical Name:
5-amino-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CAS Number:
1187861-34-2
Molecular Formula:
C12H14N4O2
Molecular Weight:
246.2652
MDL Number:
MFCD11210070
IUPAC Name:
5-amino-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
InChI:
InChI=1S/C12H14N4O2/c1-18-9-4-2-8(3-5-9)6-14-12(17)10-7-15-16-11(10)13/h2-5,7H,6H2,1H3,(H,14,17)(H3,13,15,16)
InChI Key:
VYJFIYVZEREQMP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNC(=O)c1cn[nH]c1N
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.112g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
246.27g/mol
Monoisotopic Mass:
246.112g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties