5-tert-butyl-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H19N3O — CID 665720

IUPAC5-tert-butyl-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(C(C)(C)C)nc2c1-c1ccccc1
InChIInChI=1S/C17H19N3O/c1-11-15(12-8-6-5-7-9-12)16-18-13(17(2,3)4)10-14(21)20(16)19-11/h5-10,19H,1-4H3
InChIKeyPFIUIEAMCBNRQQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.30
Rot. Bonds1

About 5-tert-butyl-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-tert-butyl-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 665720) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID665720
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name5-tert-butyl-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(C(C)(C)C)nc2c1-c1ccccc1
InChIInChI=1S/C17H19N3O/c1-11-15(12-8-6-5-7-9-12)16-18-13(17(2,3)4)10-14(21)20(16)19-11/h5-10,19H,1-4H3
InChIKeyPFIUIEAMCBNRQQ-UHFFFAOYSA-N
XLogP3.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-tert-butyl-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 665720) is 5-tert-butyl-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-tert-butyl-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-tert-butyl-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1[nH]n2c(=O)cc(C(C)(C)C)nc2c1-c1ccccc1.
What is the InChIKey of 5-tert-butyl-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PFIUIEAMCBNRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-15(12-8-6-5-7-9-12)16-18-13(17(2,3)4)10-14(21)20(16)19-11/h5-10,19H,1-4H3.
What are the key properties of 5-tert-butyl-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-tert-butyl-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 281.36 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 665720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).