Benzyl (1,5-dimethyl-1H-pyrazol-3-yl)carbamate - CAS 1445322-58-6
Catalog: |
BB073932 |
Product Name: |
Benzyl (1,5-dimethyl-1H-pyrazol-3-yl)carbamate |
CAS: |
1445322-58-6 |
Synonyms: |
3-(CBZ-AMINO)-1,5-DIMETHYLPYRAZOLE; BENZYL N-(1,5-DIMETHYLPYRAZOL-3-YL)CARBAMATE |
IUPAC Name: | benzyl N-(1,5-dimethylpyrazol-3-yl)carbamate |
Molecular Weight: | 245.28 |
Molecular Formula: | C13H15N3O2 |
Canonical SMILES: | CC1=CC(=NN1C)NC(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C13H15N3O2/c1-10-8-12(15-16(10)2)14-13(17)18-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,14,15,17) |
InChI Key: | SBLMQFZKHYPZIC-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: | 245.11642673 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.11642673 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 56.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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