3,5,6-trimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H15N3O — CID 761039

IUPAC3,5,6-trimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(C)c(-c3ccccc3)[nH]n2c(=O)c1C
InChIInChI=1S/C15H15N3O/c1-9-11(3)16-14-10(2)13(17-18(14)15(9)19)12-7-5-4-6-8-12/h4-8,17H,1-3H3
InChIKeyXBUCWRZBDIHBPH-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.61
Rot. Bonds1

About 3,5,6-trimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3,5,6-trimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 761039) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3,5,6-trimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3,5,6-trimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID761039
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3,5,6-trimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(C)c(-c3ccccc3)[nH]n2c(=O)c1C
InChIInChI=1S/C15H15N3O/c1-9-11(3)16-14-10(2)13(17-18(14)15(9)19)12-7-5-4-6-8-12/h4-8,17H,1-3H3
InChIKeyXBUCWRZBDIHBPH-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 ≤ 500253.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3,5,6-trimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 761039) is 3,5,6-trimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3,5,6-trimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3,5,6-trimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(C)c(-c3ccccc3)[nH]n2c(=O)c1C.
What is the InChIKey of 3,5,6-trimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is XBUCWRZBDIHBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-9-11(3)16-14-10(2)13(17-18(14)15(9)19)12-7-5-4-6-8-12/h4-8,17H,1-3H3.
What are the key properties of 3,5,6-trimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3,5,6-trimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 253.31 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 3,5,6-trimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 761039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).