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Home > Nitro Compounds > 321534-62-7
321534-62-7 | N-(3-methoxyphenyl)-3-nitro-4-(1H-pyrazol-1-yl)benzamide
CAS No: 321534-62-7 Catalog No: AG00IXR4 MDL No:MFCD00141991
Product Description
Catalog Number:
AG00IXR4
Chemical Name:
N-(3-methoxyphenyl)-3-nitro-4-(1H-pyrazol-1-yl)benzamide
CAS Number:
321534-62-7
Molecular Formula:
C17H14N4O4
Molecular Weight:
338.3175
MDL Number:
MFCD00141991
IUPAC Name:
N-(3-methoxyphenyl)-3-nitro-4-pyrazol-1-ylbenzamide
InChI:
InChI=1S/C17H14N4O4/c1-25-14-5-2-4-13(11-14)19-17(22)12-6-7-15(16(10-12)21(23)24)20-9-3-8-18-20/h2-11H,1H3,(H,19,22)
InChI Key:
MPDAHCBCVNMJKX-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])n1cccn1
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.102g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.323g/mol
Monoisotopic Mass:
338.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Selective antagonists of mouse trace amine-associated receptor 1 (mTAAR1): discovery of EPPTB (RO5212773). | Bioorganic & medicinal chemistry letters 20110215 |
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