| CAS Number | 669050-76-4 |
| Catalog Number | AG00FHIB(AGN-PC-07JTP6) |
| Chemical Name | 1-cyclopentyl-1H-pyrazole-5-carbaldehyde |
| IUPAC Name | 2-cyclopentylpyrazole-3-carbaldehyde |
| InChI | InChI=1S/C9H12N2O/c12-7-9-5-6-10-11(9)8-3-1-2-4-8/h5-8H,1-4H2 |
| InChI Key | ZEDWZCIUOQGWAD-UHFFFAOYSA-N |
| MDL Number | MFCD12548041 |
| Molecular Formula | C9H12N2O |
| Molecular Weight | 164.2044 |
| SMILES | O=CC1N(C2CCCC2)N=CC=1 |
| Synonyms | 1-cyclopentyl-1H-pyrazole-5-carbaldehyde,
669050-76-4,
1-cyclopentylpyrazole-5-carbaldehyde,
2-cyclopentyl-2H-pyrazole-3-carbaldehyde,
SCHEMBL1418595,
MFCD12548041,
SBB027107,
ZINC36644449,
AKOS005168948,
MCULE-1775976400,
ST45136275,
1H-Pyrazole-5-carboxaldehyde, 1-cyclopentyl-,
82785-EP2298758A1,
82785-EP2298759A1,
82785-EP2305664A1,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.208g/mol |
| Monoisotopic Mass | 164.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number