3-(cyclohexen-1-yl)-7-hydroxy-6-(4-methoxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C25H23N3O3 — CID 137297367

IUPAC3-(cyclohexen-1-yl)-7-hydroxy-6-(4-methoxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCOc1ccc(-c2c(O)n3nc(-c4ccccc4)c(C4=CCCCC4)c3[nH]c2=O)cc1
InChIInChI=1S/C25H23N3O3/c1-31-19-14-12-17(13-15-19)21-24(29)26-23-20(16-8-4-2-5-9-16)22(27-28(23)25(21)30)18-10-6-3-7-11-18/h3,6-8,10-15,30H,2,4-5,9H2,1H3,(H,26,29)
InChIKeyUKILUXHCBUFNCP-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.03
Rot. Bonds4

About 3-(cyclohexen-1-yl)-7-hydroxy-6-(4-methoxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

3-(cyclohexen-1-yl)-7-hydroxy-6-(4-methoxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137297367) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-7-hydroxy-6-(4-methoxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-7-hydroxy-6-(4-methoxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137297367
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name3-(cyclohexen-1-yl)-7-hydroxy-6-(4-methoxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCOc1ccc(-c2c(O)n3nc(-c4ccccc4)c(C4=CCCCC4)c3[nH]c2=O)cc1
InChIInChI=1S/C25H23N3O3/c1-31-19-14-12-17(13-15-19)21-24(29)26-23-20(16-8-4-2-5-9-16)22(27-28(23)25(21)30)18-10-6-3-7-11-18/h3,6-8,10-15,30H,2,4-5,9H2,1H3,(H,26,29)
InChIKeyUKILUXHCBUFNCP-UHFFFAOYSA-N
XLogP5.03
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
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CID 819077
N-(1,3-diphenyl-1H-pyrazol-5-yl)-3-methoxybenzamide
CID 11710424
N-(1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-9H-xanthene-9-carboxamide
CID 135735901
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 135753063
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-4-methoxybenzamide
CID 1507263
1-(4-methoxybenzoyl)-3-methyl-N-phenyl-1H-pyrazol-5-amine
CID 867969
9-(4-Methoxyphenyl)-2-methyl-3-phenyl-5,6,7,9-tetrahydropyrazolo[5,1-b]quinazolin-8-ol
CID 4971206
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 11647509
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-methoxybenzamide
CID 11667813
N-(1-(3-methoxyphenyl)-3-phenyl-1H-pyrazol-3-yl)benzamide
CID 11696353
N-(1-phenyl-3-(3-methoxyphenyl)-1H-pyrazol-3-yl)benzamide
CID 11717640

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-7-hydroxy-6-(4-methoxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(cyclohexen-1-yl)-7-hydroxy-6-(4-methoxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137297367) is 3-(cyclohexen-1-yl)-7-hydroxy-6-(4-methoxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-(cyclohexen-1-yl)-7-hydroxy-6-(4-methoxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(cyclohexen-1-yl)-7-hydroxy-6-(4-methoxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is COc1ccc(-c2c(O)n3nc(-c4ccccc4)c(C4=CCCCC4)c3[nH]c2=O)cc1.
What is the InChIKey of 3-(cyclohexen-1-yl)-7-hydroxy-6-(4-methoxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is UKILUXHCBUFNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-31-19-14-12-17(13-15-19)21-24(29)26-23-20(16-8-4-2-5-9-16)22(27-28(23)25(21)30)18-10-6-3-7-11-18/h3,6-8,10-15,30H,2,4-5,9H2,1H3,(H,26,29).
What are the key properties of 3-(cyclohexen-1-yl)-7-hydroxy-6-(4-methoxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(cyclohexen-1-yl)-7-hydroxy-6-(4-methoxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 413.48 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-7-hydroxy-6-(4-methoxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137297367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).