200,000+ products from a single source!
sales@angenechem.com
116834-10-7 | 1H-Pyrazole-4-carboxylic acid, 1-(4-methoxyphenyl)-5-(1H-pyrrol-1-yl)-
CAS No: 116834-10-7 Catalog No: AG000DA6 MDL No:MFCD01693496
Product Description
Catalog Number:
AG000DA6
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-(4-methoxyphenyl)-5-(1H-pyrrol-1-yl)-
CAS Number:
116834-10-7
Molecular Formula:
C15H13N3O3
Molecular Weight:
283.2820
MDL Number:
MFCD01693496
IUPAC Name:
1-(4-methoxyphenyl)-5-pyrrol-1-ylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C15H13N3O3/c1-21-12-6-4-11(5-7-12)18-14(17-8-2-3-9-17)13(10-16-18)15(19)20/h2-10H,1H3,(H,19,20)
InChI Key:
OTORYOLFRODARE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1ncc(c1n1cccc1)C(=O)O
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.287g/mol
Monoisotopic Mass:
283.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.