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

C16H17N3O — CID 666835

IUPAC2-methyl-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(C(C)C)nc2c1-c1ccccc1
InChIInChI=1S/C16H17N3O/c1-10(2)13-9-14(20)19-16(17-13)15(11(3)18-19)12-7-5-4-6-8-12/h4-10,18H,1-3H3
InChIKeyWCXLLXFUHIQSKK-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.12
Rot. Bonds2

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

2-methyl-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 666835) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-methyl-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID666835
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-methyl-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(C(C)C)nc2c1-c1ccccc1
InChIInChI=1S/C16H17N3O/c1-10(2)13-9-14(20)19-16(17-13)15(11(3)18-19)12-7-5-4-6-8-12/h4-10,18H,1-3H3
InChIKeyWCXLLXFUHIQSKK-UHFFFAOYSA-N
XLogP3.12
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 666835) is 2-methyl-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1[nH]n2c(=O)cc(C(C)C)nc2c1-c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WCXLLXFUHIQSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10(2)13-9-14(20)19-16(17-13)15(11(3)18-19)12-7-5-4-6-8-12/h4-10,18H,1-3H3.
What are the key properties of 2-methyl-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 267.33 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 666835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).