5-methyl-2-(4-methylphenyl)-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H17N3O — CID 793400

IUPAC5-methyl-2-(4-methylphenyl)-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESC=CCc1c(C)nc2cc(-c3ccc(C)cc3)[nH]n2c1=O
InChIInChI=1S/C17H17N3O/c1-4-5-14-12(3)18-16-10-15(19-20(16)17(14)21)13-8-6-11(2)7-9-13/h4,6-10,19H,1,5H2,2-3H3
InChIKeyJKACPBYMTFVPGL-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.03
Rot. Bonds3

About 5-methyl-2-(4-methylphenyl)-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-methyl-2-(4-methylphenyl)-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 793400) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID793400
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name5-methyl-2-(4-methylphenyl)-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESC=CCc1c(C)nc2cc(-c3ccc(C)cc3)[nH]n2c1=O
InChIInChI=1S/C17H17N3O/c1-4-5-14-12(3)18-16-10-15(19-20(16)17(14)21)13-8-6-11(2)7-9-13/h4,6-10,19H,1,5H2,2-3H3
InChIKeyJKACPBYMTFVPGL-UHFFFAOYSA-N
XLogP3.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Isopropyl-7-oxo-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 78426698
6-Ethyl-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 684434
2-(4-Chlorophenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7(1h)-one
CID 761950
2-(3-Chloro-phenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 764165
6-benzyl-2-(tert-butyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione
CID 2813282
Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2-methyl-5-phenyl-
CID 2818813
2-Methyl-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 666383
5-methyl-2-phenyl-4H,7H-pyrazolo(1,5-a)pyrimidin-7-one
CID 737203
3-Methyl-2-p-tolyl-5,6,7,8-tetrahydro-pyrazolo[5,1-b]quinazolin-9-ol
CID 656272
2-(4-Methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-ol
CID 819041
3,5-diphenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 2810970
5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 5039735

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-(4-methylphenyl)-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 793400) is 5-methyl-2-(4-methylphenyl)-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is C=CCc1c(C)nc2cc(-c3ccc(C)cc3)[nH]n2c1=O.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is JKACPBYMTFVPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-4-5-14-12(3)18-16-10-15(19-20(16)17(14)21)13-8-6-11(2)7-9-13/h4,6-10,19H,1,5H2,2-3H3.
What are the key properties of 5-methyl-2-(4-methylphenyl)-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-(4-methylphenyl)-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 279.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 793400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).