| CAS Number | 723339-63-7 |
| Catalog Number | AG0067FG(AGN-PC-0WAAR0) |
| Chemical Name | Ethyl 3-(3-methoxyphenyl)pyrazole-5-carboxylate |
| IUPAC Name | ethyl 3-(3-methoxyphenyl)-1H-pyrazole-5-carboxylate |
| InChI | InChI=1S/C13H14N2O3/c1-3-18-13(16)12-8-11(14-15-12)9-5-4-6-10(7-9)17-2/h4-8H,3H2,1-2H3,(H,14,15) |
| InChI Key | VBAFPHAPTHNKIO-UHFFFAOYSA-N |
| MDL Number | MFCD07357353 |
| Molecular Formula | C13H14N2O3 |
| Molecular Weight | 246.2619 |
| SMILES | CCOC(=O)C1=CC(=NN1)C1=CC=CC(OC)=C1 |
| Synonyms | 723339-63-7,
ETHYL 3-(3-METHOXYPHENYL)-1H-PYRAZOLE-5-CARBOXYLATE,
Ethyl 5-(3-methoxyphenyl)-1H-pyrazole-3-carboxylate,
1316754-26-3,
1H-Pyrazole-3-carboxylicacid, 5-(3-methoxyphenyl)-, ethyl ester,
5-(3-METHOXY-PHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER,
Ethyl 3-(3-methoxyphenyl)pyrazole-5-carboxylate,
SCHEMBL4714286,
CTK5D5940,
KS-00001NFN,
DTXSID40628469,
ZINC8700510,
MFCD07357353,
AKOS027428694,
AS-42638,
Ethyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate, 97% - 1G 1g,
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| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.266g/mol |
| Monoisotopic Mass | 246.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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