| CAS Number | 62908-85-4 |
| Catalog Number | AG00IB3V(AGN-PC-08XS6X) |
| Chemical Name | Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 5-methyl- |
| IUPAC Name | 5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid |
| InChI | InChI=1S/C8H7N3O2/c1-5-2-3-11-7(10-5)6(4-9-11)8(12)13/h2-4H,1H3,(H,12,13) |
| InChI Key | CADNVJNUYBVVFU-UHFFFAOYSA-N |
| MDL Number | MFCD16990654 |
| Molecular Formula | C8H7N3O2 |
| Molecular Weight | 177.1601 |
| SMILES | C(=O)(O)c1c2n(nc1)ccc(n2)C |
| Synonyms | 5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid,
62908-85-4,
Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 5-methyl-,
AC1Q2P9K,
SCHEMBL359281,
CTK2B0753,
DTXSID30679061,
MFCD16990654,
ZINC57218563,
AKOS015868299,
MCULE-3009800314,
NE20133,
AS-36469,
CS-0080337,
EN300-67334,
Z1171978890,
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| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.163g/mol |
| Monoisotopic Mass | 177.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number