5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C23H22N6O2 — CID 46973793

IUPAC5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1ccc(-c2c[nH]n3c(=O)cc(-c4noc(C)c4Cn4nc(C)cc4C)nc23)cc1
InChIInChI=1S/C23H22N6O2/c1-13-5-7-17(8-6-13)18-11-24-29-21(30)10-20(25-23(18)29)22-19(16(4)31-27-22)12-28-15(3)9-14(2)26-28/h5-11,24H,12H2,1-4H3
InChIKeyAEPNROKTKCJBCA-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.82
Rot. Bonds4

About 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 46973793) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID46973793
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1ccc(-c2c[nH]n3c(=O)cc(-c4noc(C)c4Cn4nc(C)cc4C)nc23)cc1
InChIInChI=1S/C23H22N6O2/c1-13-5-7-17(8-6-13)18-11-24-29-21(30)10-20(25-23(18)29)22-19(16(4)31-27-22)12-28-15(3)9-14(2)26-28/h5-11,24H,12H2,1-4H3
InChIKeyAEPNROKTKCJBCA-UHFFFAOYSA-N
XLogP3.82
TPSA94.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 46973793) is 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1ccc(-c2c[nH]n3c(=O)cc(-c4noc(C)c4Cn4nc(C)cc4C)nc23)cc1.
What is the InChIKey of 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AEPNROKTKCJBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-13-5-7-17(8-6-13)18-11-24-29-21(30)10-20(25-23(18)29)22-19(16(4)31-27-22)12-28-15(3)9-14(2)26-28/h5-11,24H,12H2,1-4H3.
What are the key properties of 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 414.47 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46973793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).