1,3-Dimethyl-5-(pyrrolidin-2-yl)-1H-pyrazole - CAS 1172442-81-7
Catalog: |
BB052530 |
Product Name: |
1,3-Dimethyl-5-(pyrrolidin-2-yl)-1H-pyrazole |
CAS: |
1172442-81-7 |
Synonyms: |
1,3-dimethyl-5-(pyrrolidin-2-yl)-1H-pyrazole |
IUPAC Name: | 1,3-dimethyl-5-pyrrolidin-2-ylpyrazole |
Molecular Weight: | 165.24 |
Molecular Formula: | C9H15N3 |
Canonical SMILES: | CC1=NN(C(=C1)C2CCCN2)C |
InChI: | InChI=1S/C9H15N3/c1-7-6-9(12(2)11-7)8-4-3-5-10-8/h6,8,10H,3-5H2,1-2H3 |
InChI Key: | SIEUUDQWIKILAE-UHFFFAOYSA-N |
Boiling Point: | 281.4±28.0 °C at 760 mmHg |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.126597491 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.126597491 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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