5-cyclohex-3-en-1-yl-3-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H19N3O2 — CID 172673795

IUPAC5-cyclohex-3-en-1-yl-3-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc(-c2c[nH]n3c(=O)cc(C4CC=CCC4)nc23)c1
InChIInChI=1S/C19H19N3O2/c1-24-15-9-5-8-14(10-15)16-12-20-22-18(23)11-17(21-19(16)22)13-6-3-2-4-7-13/h2-3,5,8-13,20H,4,6-7H2,1H3
InChIKeyFHHBUGKRYDVJEU-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.52
Rot. Bonds3

About 5-cyclohex-3-en-1-yl-3-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-cyclohex-3-en-1-yl-3-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 172673795) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-cyclohex-3-en-1-yl-3-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-cyclohex-3-en-1-yl-3-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID172673795
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name5-cyclohex-3-en-1-yl-3-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc(-c2c[nH]n3c(=O)cc(C4CC=CCC4)nc23)c1
InChIInChI=1S/C19H19N3O2/c1-24-15-9-5-8-14(10-15)16-12-20-22-18(23)11-17(21-19(16)22)13-6-3-2-4-7-13/h2-3,5,8-13,20H,4,6-7H2,1H3
InChIKeyFHHBUGKRYDVJEU-UHFFFAOYSA-N
XLogP3.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohex-3-en-1-yl-3-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-cyclohex-3-en-1-yl-3-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 172673795) is 5-cyclohex-3-en-1-yl-3-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-cyclohex-3-en-1-yl-3-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-cyclohex-3-en-1-yl-3-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1cccc(-c2c[nH]n3c(=O)cc(C4CC=CCC4)nc23)c1.
What is the InChIKey of 5-cyclohex-3-en-1-yl-3-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FHHBUGKRYDVJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-15-9-5-8-14(10-15)16-12-20-22-18(23)11-17(21-19(16)22)13-6-3-2-4-7-13/h2-3,5,8-13,20H,4,6-7H2,1H3.
What are the key properties of 5-cyclohex-3-en-1-yl-3-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-cyclohex-3-en-1-yl-3-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 321.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-3-en-1-yl-3-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 172673795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).