2-Morpholino-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethanone - CAS 1170406-61-7
Catalog: |
BB042465 |
Product Name: |
2-Morpholino-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethanone |
CAS: |
1170406-61-7 |
Synonyms: |
SBB026674; STK400268; ZINC22638003; AKOS005168655 |
IUPAC Name: | 2-morpholin-4-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanone |
Description: | 2-Morpholino-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethanone (CAS# 1170406-61-7 ) is a useful research chemical. |
Molecular Weight: | 237.30 |
Molecular Formula: | C12H19N3O2 |
Canonical SMILES: | CC1=C(C(=NN1C)C)C(=O)CN2CCOCC2 |
InChI: | InChI=1S/C12H19N3O2/c1-9-12(10(2)14(3)13-9)11(16)8-15-4-6-17-7-5-15/h4-8H2,1-3H3 |
InChI Key: | OEXIMSYTAURGGD-UHFFFAOYSA-N |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.147726857 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.147726857 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 47.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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Related Functional Groups
Morpholines/Thiomorpholines
Pyrazoles
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