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

C16H15N3O — CID 793392

IUPAC5-methyl-2-phenyl-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESC=CCc1c(C)nc2cc(-c3ccccc3)[nH]n2c1=O
InChIInChI=1S/C16H15N3O/c1-3-7-13-11(2)17-15-10-14(18-19(15)16(13)20)12-8-5-4-6-9-12/h3-6,8-10,18H,1,7H2,2H3
InChIKeyQAKLXQZHLWKCCR-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.73
Rot. Bonds3

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

5-methyl-2-phenyl-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 793392) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-methyl-2-phenyl-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID793392
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5-methyl-2-phenyl-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESC=CCc1c(C)nc2cc(-c3ccccc3)[nH]n2c1=O
InChIInChI=1S/C16H15N3O/c1-3-7-13-11(2)17-15-10-14(18-19(15)16(13)20)12-8-5-4-6-9-12/h3-6,8-10,18H,1,7H2,2H3
InChIKeyQAKLXQZHLWKCCR-UHFFFAOYSA-N
XLogP2.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-phenyl-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 793392) is 5-methyl-2-phenyl-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-phenyl-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-phenyl-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is C=CCc1c(C)nc2cc(-c3ccccc3)[nH]n2c1=O.
What is the InChIKey of 5-methyl-2-phenyl-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QAKLXQZHLWKCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-3-7-13-11(2)17-15-10-14(18-19(15)16(13)20)12-8-5-4-6-9-12/h3-6,8-10,18H,1,7H2,2H3.
What are the key properties of 5-methyl-2-phenyl-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-phenyl-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 265.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 793392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).