| CAS Number | 241798-68-5 |
| Catalog Number | AG00I4NH(AGN-PC-0WOVRS) |
| Chemical Name | 5-Cyclopropyl-1-phenyl-1h-pyrazole-4-carboxylic acid |
| IUPAC Name | 5-cyclopropyl-1-phenylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C13H12N2O2/c16-13(17)11-8-14-15(12(11)9-6-7-9)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,16,17) |
| InChI Key | GOFLYUKBUGVGJT-UHFFFAOYSA-N |
| MDL Number | MFCD09863440 |
| Molecular Formula | C13H12N2O2 |
| Molecular Weight | 228.2466 |
| SMILES | OC(C1=C(C2CC2)N(C2=CC=CC=C2)N=C1)=O |
| Synonyms | 5-cyclopropyl-1-phenyl-1H-pyrazole-4-carboxylic acid,
241798-68-5,
AC1Q726M,
SCHEMBL3494329,
CTK7J0650,
ZINC12879700,
AKOS009170616,
MCULE-3371041986,
NE24355,
EN300-30882,
5-Cyclopropyl-1-phenyl-1H-pyrazole-4-carboxylic acid, AldrichCPR,
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| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.251g/mol |
| Monoisotopic Mass | 228.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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