5-(oxolan-2-yl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C22H19N3O2S — CID 21253108

IUPAC5-(oxolan-2-yl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(C2CCCO2)nc2c(-c3ccc(Sc4ccccc4)cc3)c[nH]n12
InChIInChI=1S/C22H19N3O2S/c26-21-13-19(20-7-4-12-27-20)24-22-18(14-23-25(21)22)15-8-10-17(11-9-15)28-16-5-2-1-3-6-16/h1-3,5-6,8-11,13-14,20,23H,4,7,12H2
InChIKeyKUVMVFRLCAGAPV-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.69
Rot. Bonds4

About 5-(oxolan-2-yl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(oxolan-2-yl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 21253108) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 5-(oxolan-2-yl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(oxolan-2-yl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID21253108
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name5-(oxolan-2-yl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(C2CCCO2)nc2c(-c3ccc(Sc4ccccc4)cc3)c[nH]n12
InChIInChI=1S/C22H19N3O2S/c26-21-13-19(20-7-4-12-27-20)24-22-18(14-23-25(21)22)15-8-10-17(11-9-15)28-16-5-2-1-3-6-16/h1-3,5-6,8-11,13-14,20,23H,4,7,12H2
InChIKeyKUVMVFRLCAGAPV-UHFFFAOYSA-N
XLogP4.69
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methoxymethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 9841952
5-(ethoxymethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 15521104
5-(cyclopentyloxymethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 15521106
5-(cyclohexyloxymethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 15521108
3-(4-phenylsulfanylphenyl)-5-(propan-2-yloxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 15521110
5-ethyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 19934663
3-(4-phenylsulfanylphenyl)-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 19934675
ethyl 2-(methoxymethyl)-7-oxo-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 19934701
5-[(2-methyl-1,3-dioxolan-2-yl)methyl]-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 21253090
5-(3,7-dimethyloctoxymethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 21253093
5-(3-methoxypropyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 21253109
5-(2-ethoxyethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 21253111

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-yl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(oxolan-2-yl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 21253108) is 5-(oxolan-2-yl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(oxolan-2-yl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(oxolan-2-yl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(C2CCCO2)nc2c(-c3ccc(Sc4ccccc4)cc3)c[nH]n12.
What is the InChIKey of 5-(oxolan-2-yl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KUVMVFRLCAGAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c26-21-13-19(20-7-4-12-27-20)24-22-18(14-23-25(21)22)15-8-10-17(11-9-15)28-16-5-2-1-3-6-16/h1-3,5-6,8-11,13-14,20,23H,4,7,12H2.
What are the key properties of 5-(oxolan-2-yl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(oxolan-2-yl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 389.48 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 21253108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).