5-(4-ethylsulfanylphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H15N3OS — CID 164541055

IUPAC5-(4-ethylsulfanylphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCSc1ccc(-c2cc(=O)n3[nH]cc(C)c3n2)cc1
InChIInChI=1S/C15H15N3OS/c1-3-20-12-6-4-11(5-7-12)13-8-14(19)18-15(17-13)10(2)9-16-18/h4-9,16H,3H2,1-2H3
InChIKeyPUYKDSZUFRRIJQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.11
Rot. Bonds3

About 5-(4-ethylsulfanylphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(4-ethylsulfanylphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 164541055) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-(4-ethylsulfanylphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(4-ethylsulfanylphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID164541055
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name5-(4-ethylsulfanylphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCSc1ccc(-c2cc(=O)n3[nH]cc(C)c3n2)cc1
InChIInChI=1S/C15H15N3OS/c1-3-20-12-6-4-11(5-7-12)13-8-14(19)18-15(17-13)10(2)9-16-18/h4-9,16H,3H2,1-2H3
InChIKeyPUYKDSZUFRRIJQ-UHFFFAOYSA-N
XLogP3.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylsulfanylphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(4-ethylsulfanylphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 164541055) is 5-(4-ethylsulfanylphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(4-ethylsulfanylphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(4-ethylsulfanylphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCSc1ccc(-c2cc(=O)n3[nH]cc(C)c3n2)cc1.
What is the InChIKey of 5-(4-ethylsulfanylphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PUYKDSZUFRRIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-3-20-12-6-4-11(5-7-12)13-8-14(19)18-15(17-13)10(2)9-16-18/h4-9,16H,3H2,1-2H3.
What are the key properties of 5-(4-ethylsulfanylphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(4-ethylsulfanylphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 285.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylsulfanylphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 164541055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).