3-(Adamantan-1-yl)-1H-pyrazole-5-carbaldehyde - CAS 1310738-85-2
Catalog: |
BB075361 |
Product Name: |
3-(Adamantan-1-yl)-1H-pyrazole-5-carbaldehyde |
CAS: |
1310738-85-2 |
Synonyms: |
3-(adamantan-1-yl)-1H-pyrazole-5-carbaldehyde; 5-(1-adamantyl)-1H-pyrazole-3-carbaldehyde |
IUPAC Name: | 5-(1-adamantyl)-1H-pyrazole-3-carbaldehyde |
Molecular Weight: | 230.31 |
Molecular Formula: | C14H18N2O |
Canonical SMILES: | C1C2CC3CC1CC(C2)(C3)C4=CC(=NN4)C=O |
InChI: | InChI=1S/C14H18N2O/c17-8-12-4-13(16-15-12)14-5-9-1-10(6-14)3-11(2-9)7-14/h4,8-11H,1-3,5-7H2,(H,15,16) |
InChI Key: | WJWMHABTLFVRMT-UHFFFAOYSA-N |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.141913202 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.141913202 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 45.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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