Methyl 1-isopropyl-1H-pyrazole-4-carboxylate - CAS 1314965-56-4
Catalog: |
BB051477 |
Product Name: |
Methyl 1-isopropyl-1H-pyrazole-4-carboxylate |
CAS: |
1314965-56-4 |
Synonyms: |
1-Isopropyl-1H-pyrazole-4-carboxylic acid methyl ester; 1H-Pyrazole-4-carboxylic acid, 1-(1-methylethyl)-, methyl ester; methyl 1-(propan-2-yl)-1H-pyrazole-4-carboxylate |
IUPAC Name: | methyl 1-propan-2-ylpyrazole-4-carboxylate |
Molecular Weight: | 168.19 |
Molecular Formula: | C8H12N2O2 |
Canonical SMILES: | CC(C)N1C=C(C=N1)C(=O)OC |
InChI: | InChI=1S/C8H12N2O2/c1-6(2)10-5-7(4-9-10)8(11)12-3/h4-6H,1-3H3 |
InChI Key: | VKBMNCGUBVUROR-UHFFFAOYSA-N |
Boiling Point: | 240.1±13.0°C at 760 mmHg |
Purity: | 97% |
Density: | 1.1±0.1 g/cm3 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.08987763 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Related Functional Groups
Carbonyl Compounds
Pyrazoles
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