6-ethyl-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H15N3O — CID 684434

IUPAC6-ethyl-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2cc(-c3ccccc3)[nH]n2c1=O
InChIInChI=1S/C15H15N3O/c1-3-12-10(2)16-14-9-13(17-18(14)15(12)19)11-7-5-4-6-8-11/h4-9,17H,3H2,1-2H3
InChIKeyQGBYDNIXTOXVOR-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.56
Rot. Bonds2

About 6-ethyl-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-ethyl-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 684434) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-ethyl-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID684434
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name6-ethyl-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2cc(-c3ccccc3)[nH]n2c1=O
InChIInChI=1S/C15H15N3O/c1-3-12-10(2)16-14-9-13(17-18(14)15(12)19)11-7-5-4-6-8-11/h4-9,17H,3H2,1-2H3
InChIKeyQGBYDNIXTOXVOR-UHFFFAOYSA-N
XLogP2.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-ethyl-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 684434) is 6-ethyl-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-ethyl-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-ethyl-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1c(C)nc2cc(-c3ccccc3)[nH]n2c1=O.
What is the InChIKey of 6-ethyl-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QGBYDNIXTOXVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-3-12-10(2)16-14-9-13(17-18(14)15(12)19)11-7-5-4-6-8-11/h4-9,17H,3H2,1-2H3.
What are the key properties of 6-ethyl-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-ethyl-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 253.31 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 684434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).