| CAS Number | 1150164-48-9 |
| Catalog Number | AG000FOT(AGN-PC-07XU8Q) |
| Chemical Name | Methyl 5-cyclopropyl-1-phenylpyrazole-4-carboxylate |
| IUPAC Name | methyl 5-cyclopropyl-1-phenylpyrazole-4-carboxylate |
| InChI | InChI=1S/C14H14N2O2/c1-18-14(17)12-9-15-16(13(12)10-7-8-10)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3 |
| InChI Key | HHMVYCHDQQBZOB-UHFFFAOYSA-N |
| MDL Number | MFCD11855913 |
| Molecular Formula | C14H14N2O2 |
| Molecular Weight | 242.2732 |
| SMILES | COC(=O)c1cnn(c1C1CC1)c1ccccc1 |
| Synonyms | 1150164-48-9,
Methyl 5-cyclopropyl-1-phenyl-1H-pyrazole-4-carboxylate,
METHYL 5-CYCLOPROPYL-1-PHENYLPYRAZOLE-4-CARBOXYLATE,
ACMC-2099o6,
SCHEMBL13848786,
CTK4A9092,
DTXSID10674913,
2470AA,
ANW-16804,
MFCD11855913,
ZINC38537346,
AKOS015840801,
RTR-002803,
AJ-96083,
TR-002803,
A-5109,
I14-25167,
1H-Pyrazole-4-carboxylic acid, 5-cyclopropyl-1-phenyl-, methyl ester,
C14H14N2O2,
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| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.278g/mol |
| Monoisotopic Mass | 242.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number