| CAS Number | 293758-83-5 |
| Catalog Number | AG002Y7R(AGN-PC-00PGI3) |
| Chemical Name | 1-Methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C9H9N3O2/c1-11-8(12-4-2-3-5-12)7(6-10-11)9(13)14/h2-6H,1H3,(H,13,14) |
| InChI Key | HVOLMMKQGYDNND-UHFFFAOYSA-N |
| MDL Number | MFCD01871363 |
| Molecular Formula | C9H9N3O2 |
| Molecular Weight | 191.1867 |
| SMILES | CN1C(N2C=CC=C2)=C(C(O)=O)C=N1 |
| Synonyms | 1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylic acid,
293758-83-5,
1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(1H-pyrrol-1-yl)-,
1-methyl-5-pyrrol-1-yl-1H-pyrazole-4-carboxylic acid,
AC1Q40E5,
SCHEMBL1406875,
CTK0J1346,
DTXSID70573377,
HVOLMMKQGYDNND-UHFFFAOYSA-N,
ALBB-028558,
BBL029505,
MFCD01871363,
STK932534,
ZINC11850957,
AKOS000202760,
MCULE-7253879698,
NE25820,
EN300-28232,
Z235354543,
1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.19g/mol |
| Monoisotopic Mass | 191.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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