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116834-08-3 | 1H-Pyrazole-4-carboxylic acid, 1-phenyl-5-(1H-pyrrol-1-yl)-
CAS No: 116834-08-3 Catalog No: AG000DA8 MDL No:MFCD01749393
Product Description
Catalog Number:
AG000DA8
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-phenyl-5-(1H-pyrrol-1-yl)-
CAS Number:
116834-08-3
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
MDL Number:
MFCD01749393
IUPAC Name:
1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C14H11N3O2/c18-14(19)12-10-15-17(11-6-2-1-3-7-11)13(12)16-8-4-5-9-16/h1-10H,(H,18,19)
InChI Key:
UOWVLCHBFVAAQI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1n1cccc1)c1ccccc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.261g/mol
Monoisotopic Mass:
253.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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