Methyl 5-isopropyl-1H-pyrazole-3-carboxylate - CAS 1101877-35-3
Catalog: |
BB052721 |
Product Name: |
Methyl 5-isopropyl-1H-pyrazole-3-carboxylate |
CAS: |
1101877-35-3 |
Synonyms: |
methyl 3-(propan-2-yl)-1H-pyrazole-5-carboxylate; methyl 3-(methylethyl)pyrazole-5-carboxylate |
IUPAC Name: | methyl 5-propan-2-yl-1H-pyrazole-3-carboxylate |
Molecular Weight: | 168.19 |
Molecular Formula: | C8H12N2O2 |
Canonical SMILES: | CC(C)C1=CC(=NN1)C(=O)OC |
InChI: | InChI=1S/C8H12N2O2/c1-5(2)6-4-7(10-9-6)8(11)12-3/h4-5H,1-3H3,(H,9,10) |
InChI Key: | CWOFANOGQNEOTQ-UHFFFAOYSA-N |
Boiling Point: | 299.5±28.0 °C at 760 mmHg |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.08987763 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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