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303066-82-2 | 1H-Pyrazole-4-carboxylic acid, 5-amino-3-methyl-1-(phenylmethyl)-, ethyl ester
CAS No: 303066-82-2 Catalog No: AG002ZLG MDL No:MFCD00502756
Product Description
Catalog Number:
AG002ZLG
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-amino-3-methyl-1-(phenylmethyl)-, ethyl ester
CAS Number:
303066-82-2
Molecular Formula:
C14H17N3O2
Molecular Weight:
259.3037
MDL Number:
MFCD00502756
IUPAC Name:
ethyl 5-amino-1-benzyl-3-methylpyrazole-4-carboxylate
InChI:
InChI=1S/C14H17N3O2/c1-3-19-14(18)12-10(2)16-17(13(12)15)9-11-7-5-4-6-8-11/h4-8H,3,9,15H2,1-2H3
InChI Key:
ZIVXPMIRBSHHAM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)nn(c1N)Cc1ccccc1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.309g/mol
Monoisotopic Mass:
259.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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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