| CAS Number | 1199590-80-1 |
| Catalog Number | AG0099S0(AGN-PC-0WB625) |
| Chemical Name | Ethyl 1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate |
| IUPAC Name | ethyl 1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylate |
| InChI | InChI=1S/C14H16N2O3/c1-3-19-14(17)12-8-15-16(10-12)9-11-4-6-13(18-2)7-5-11/h4-8,10H,3,9H2,1-2H3 |
| InChI Key | KMKGIDHKTPDZRT-UHFFFAOYSA-N |
| MDL Number | MFCD13184319 |
| Molecular Formula | C14H16N2O3 |
| Molecular Weight | 260.2884 |
| SMILES | O=C(C1=CN(CC2=CC=C(OC)C=C2)N=C1)OCC |
| Synonyms | ethyl 1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate,
1199590-80-1,
KMKGIDHKTPDZRT-UHFFFAOYSA-N,
SCHEMBL369369,
MFCD13184319,
ZINC54967441,
AKOS017393305,
DA-14622,
CS-0036076,
FT-0770391,
S14-1505,
1-(4-Methoxy-benzyl)-1H-pyrazole-4-carboxylic acid ethyl ester,
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| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.293g/mol |
| Monoisotopic Mass | 260.116g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number