N-(2,3-dihydroxypropyl)-5-[(2-methoxyphenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide

HCID 56757351

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Basic information

CAS: 1338002-18-8
Standard SMILES: COc1ccccc1OCc1cc(C(=O)N(C)CC(O)CO)n[nH]1
InChIKey: ABUMKZVPYRUKNL-UHFFFAOYSA-N
Molecular formula: C16H21N3O5
Average molar mass: 335.35 g/mol
Monoisotopic mass: 335.14812078

Names & identifiers

Preferred name: N-(2,3-dihydroxypropyl)-5-[(2-methoxyphenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
IUPAC: N-(2,3-dihydroxypropyl)-5-[(2-methoxyphenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide

Names & synonyms

1338002-18-8N-(2,3-dihydroxypropyl)-5-[(2-methoxyphenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide1H-Pyrazole-3-carboxamide, N-(2,3-dihydroxypropyl)-5-[(2-methoxyphenoxy)methyl]-N-methyl-DTXSID701123222

Database identifiers

CAS: 1338002-18-8
PubChem CID: 56757351
DTXSID: DTXSID701123222

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 108 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 24
Formal charge: 0
Complexity: 398

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