| CAS Number | 1006454-97-2 |
| Catalog Number | AG01A1HC |
| Chemical Name | 1-[(cyclopentylcarbamoyl)methyl]-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-[2-(cyclopentylamino)-2-oxoethyl]pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C11H15N3O3/c15-10(13-9-3-1-2-4-9)7-14-6-8(5-12-14)11(16)17/h5-6,9H,1-4,7H2,(H,13,15)(H,16,17) |
| InChI Key | MQAHGCYHVSCPEZ-UHFFFAOYSA-N |
| MDL Number | MFCD06808150 |
| Molecular Formula | C11H15N3O3 |
| Molecular Weight | 237.2551 |
| SMILES | OC(C1=CN(CC(NC2CCCC2)=O)N=C1)=O |
| Synonyms | 1-[(cyclopentylcarbamoyl)methyl]-1H-pyrazole-4-carboxylic acid,
1006454-97-2,
CTK7G1867,
ZINC20325853,
AKOS000312402,
MCULE-1302580140,
NE33137,
Z1464257524,
1-[2-(CYCLOPENTYLAMINO)-2-OXOETHYL]-1H-PYRAZOLE-4-CARBOXYLIC ACID,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.259g/mol |
| Monoisotopic Mass | 237.111g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number