2,5-Dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

HCID 754754

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cc(-c2ccccc2)n2nc(C)c(C#N)c2n1
InChIKey: XGFNYRLYWZRFSQ-UHFFFAOYSA-N
Molecular formula: C15H12N4
Average molar mass: 248.28 g/mol
Monoisotopic mass: 248.1061964

Names & identifiers

Preferred name: 2,5-Dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
IUPAC: 2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

Names & synonyms

2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile2,5-Dimethyl-7-phenyl-pyrazolo[1,5-a]pyrimidine-3-carbonitrileMLS000067854SCHEMBL9728952CHEMBL1561659XGFNYRLYWZRFSQ-UHFFFAOYSA-NHMS2355J05STK049371AKOS005385355CCG-114945138254-43-0SMR000122455

Show more names

EU-00487432,5-Dimethyl-7-phenylpyrazolo(1,5-a) pyrimidine-3-carbonitrile

Database identifiers

PubChem CID: 754754
ChEMBL: CHEMBL1561659

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 54 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 368

Related reactions

2 records

New reaction record

HRID 345939As productuspto-grants-1991_10

HRID 1681139As productuspto-grants-1992_12

Compound notes

Loading…