3-Pyrazolidinone, 1-methyl-5-phenyl-

HCID 95490

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Basic information

CAS: 14776-37-5
Standard SMILES: CN1NC(=O)CC1c1ccccc1
InChIKey: JNZGAKJBZUGXCU-UHFFFAOYSA-N
Molecular formula: C10H12N2O
Average molar mass: 176.21 g/mol
Monoisotopic mass: 176.09496301

Names & identifiers

Preferred name: 3-Pyrazolidinone, 1-methyl-5-phenyl-
IUPAC: 1-methyl-5-phenylpyrazolidin-3-one

Names & synonyms

14776-37-53-Pyrazolidinone, 1-methyl-5-phenyl-RefChem:10685651-Methyl-5-phenylpyrazolidin-3-oneMLS002638405BRN 0641049AI3-50811U-6373NSC149495-24-02-00471 (Beilstein Handbook Reference)SCHEMBL8430124CHEMBL1898485

Show more names

JNZGAKJBZUGXCU-UHFFFAOYSA-N1-methyl-5-phenylpyrazolin-3-oneHMS3087G18MFCD01693292NSC 14949NSC-14949SMR001547888SY398699

Database identifiers

CAS: 14776-37-5
PubChem CID: 95490
ChEMBL: CHEMBL1898485

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 199

Related reactions

1 records

New reaction record

HRID 2309367As productuspto-grants-1987_09

Compound notes

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