5,6-dimethyl-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H15N3O — CID 810721

IUPAC5,6-dimethyl-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1ccccc1-c1cc2nc(C)c(C)c(=O)n2[nH]1
InChIInChI=1S/C15H15N3O/c1-9-6-4-5-7-12(9)13-8-14-16-11(3)10(2)15(19)18(14)17-13/h4-8,17H,1-3H3
InChIKeySXTCFIXCDIIDSB-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.61
Rot. Bonds1

About 5,6-dimethyl-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5,6-dimethyl-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 810721) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 5,6-dimethyl-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5,6-dimethyl-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID810721
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name5,6-dimethyl-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1ccccc1-c1cc2nc(C)c(C)c(=O)n2[nH]1
InChIInChI=1S/C15H15N3O/c1-9-6-4-5-7-12(9)13-8-14-16-11(3)10(2)15(19)18(14)17-13/h4-8,17H,1-3H3
InChIKeySXTCFIXCDIIDSB-UHFFFAOYSA-N
XLogP2.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5,6-dimethyl-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 810721) is 5,6-dimethyl-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5,6-dimethyl-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5,6-dimethyl-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1ccccc1-c1cc2nc(C)c(C)c(=O)n2[nH]1.
What is the InChIKey of 5,6-dimethyl-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SXTCFIXCDIIDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-9-6-4-5-7-12(9)13-8-14-16-11(3)10(2)15(19)18(14)17-13/h4-8,17H,1-3H3.
What are the key properties of 5,6-dimethyl-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5,6-dimethyl-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 253.30 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 810721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).