4-Amino-1-[2-(phenylmethoxy)ethyl]-1H-pyrazole-5-carboxylic Acid Methyl Ester - CAS 1351392-75-0
Catalog: |
BB054968 |
Product Name: |
4-Amino-1-[2-(phenylmethoxy)ethyl]-1H-pyrazole-5-carboxylic Acid Methyl Ester |
CAS: |
1351392-75-0 |
Synonyms: |
methyl 4-amino-2-(2-phenylmethoxyethyl)pyrazole-3-carboxylate; Methyl 4-amino-1-(2-(benzyloxy)ethyl)-1H-pyrazole-5-carboxylate; 4-Amino-1-[2-(phenylmethoxy)ethyl]-1H-pyrazole-5-carboxylic Acid Methyl Ester; Methyl4-amino-1-(2-(benzyloxy)ethyl)-1H-pyrazole-5-carboxylate; 4-Amino-2-(2-benzyloxy-ethyl)-2H-pyrazole-3-carboxylic acid methyl ester |
IUPAC Name: | methyl 4-amino-2-(2-phenylmethoxyethyl)pyrazole-3-carboxylate |
Molecular Weight: | 275.3 |
Molecular Formula: | C14H17N3O3 |
Canonical SMILES: | COC(=O)C1=C(C=NN1CCOCC2=CC=CC=C2)N |
InChI: | InChI=1S/C14H17N3O3/c1-19-14(18)13-12(15)9-16-17(13)7-8-20-10-11-5-3-2-4-6-11/h2-6,9H,7-8,10,15H2,1H3 |
InChI Key: | QPLDIJYLJJPPJG-UHFFFAOYSA-N |
Complexity: | 308 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.12699141 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.12699141 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 79.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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