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

C20H17N3OS — CID 19934663

IUPAC5-ethyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]cc(-c3ccc(Sc4ccccc4)cc3)c2n1
InChIInChI=1S/C20H17N3OS/c1-2-15-12-19(24)23-20(22-15)18(13-21-23)14-8-10-17(11-9-14)25-16-6-4-3-5-7-16/h3-13,21H,2H2,1H3
InChIKeyZAVUYXXYZNXASO-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.40
Rot. Bonds4

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

5-ethyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 19934663) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 5-ethyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-ethyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID19934663
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name5-ethyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]cc(-c3ccc(Sc4ccccc4)cc3)c2n1
InChIInChI=1S/C20H17N3OS/c1-2-15-12-19(24)23-20(22-15)18(13-21-23)14-8-10-17(11-9-14)25-16-6-4-3-5-7-16/h3-13,21H,2H2,1H3
InChIKeyZAVUYXXYZNXASO-UHFFFAOYSA-N
XLogP4.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-benzyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 879019
5-{[(4-chlorophenyl)sulfanyl]methyl}-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 4898037
5-Methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 754770
2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 7339995
2-ethyl-3-(4-fluorophenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 16421503
2-benzyl-5-ethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 17583873
3,5-Diphenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 4900075
3-Phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-ol
CID 785219
2-benzyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 867782
3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 10620815
3-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 12726118
3-(4-fluorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 16488179

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-ethyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 19934663) is 5-ethyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-ethyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-ethyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1cc(=O)n2[nH]cc(-c3ccc(Sc4ccccc4)cc3)c2n1.
What is the InChIKey of 5-ethyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZAVUYXXYZNXASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-2-15-12-19(24)23-20(22-15)18(13-21-23)14-8-10-17(11-9-14)25-16-6-4-3-5-7-16/h3-13,21H,2H2,1H3.
What are the key properties of 5-ethyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-ethyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 347.44 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 19934663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).