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1572-11-8 | 1H-Pyrazole-4-carboxylic acid, 3-aMino-5-phenyl-, ethyl ester
CAS No: 1572-11-8 Catalog No: AG001PAH MDL No:MFCD26106103
Product Description
Catalog Number:
AG001PAH
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 3-aMino-5-phenyl-, ethyl ester
CAS Number:
1572-11-8
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
MDL Number:
MFCD26106103
IUPAC Name:
ethyl 3-amino-5-phenyl-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C12H13N3O2/c1-2-17-12(16)9-10(14-15-11(9)13)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H3,13,14,15)
InChI Key:
JRUYBHHBBGZBGS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)n[nH]c1c1ccccc1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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