7-(1,3,5-Trimethyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid - CAS 1004727-47-2
Catalog: |
BB042705 |
Product Name: |
7-(1,3,5-Trimethyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid |
CAS: |
1004727-47-2 |
Synonyms: |
7-(1,3,5-trimethylpyrazol-4-yl)-8-hydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid |
IUPAC Name: | 7-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid |
Description: | 7-(1,3,5-Trimethyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CAS# 1004727-47-2 ) is a useful research chemical. |
Molecular Weight: | 271.27 |
Molecular Formula: | C13H13N5O2 |
Canonical SMILES: | CC1=C(C(=NN1C)C)C2=CC=NC3=CC(=NN23)C(=O)O |
InChI: | InChI=1S/C13H13N5O2/c1-7-12(8(2)17(3)15-7)10-4-5-14-11-6-9(13(19)20)16-18(10)11/h4-6H,1-3H3,(H,19,20) |
InChI Key: | HICPQYFGBKSXLS-UHFFFAOYSA-N |
Complexity: | 393 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.10692467 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.10692467 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 85.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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