2-tert-butyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C11H15N3OS — CID 10633632

IUPAC2-tert-butyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCSc1cc(=O)n2[nH]c(C(C)(C)C)cc2n1
InChIInChI=1S/C11H15N3OS/c1-11(2,3)7-5-8-12-9(16-4)6-10(15)14(8)13-7/h5-6,13H,1-4H3
InChIKeyIXPNXDYQQXAYNO-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.04
Rot. Bonds1

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

2-tert-butyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 10633632) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-tert-butyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-tert-butyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID10633632
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-tert-butyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCSc1cc(=O)n2[nH]c(C(C)(C)C)cc2n1
InChIInChI=1S/C11H15N3OS/c1-11(2,3)7-5-8-12-9(16-4)6-10(15)14(8)13-7/h5-6,13H,1-4H3
InChIKeyIXPNXDYQQXAYNO-UHFFFAOYSA-N
XLogP2.04
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-tert-butyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 10633632) is 2-tert-butyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-tert-butyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-tert-butyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CSc1cc(=O)n2[nH]c(C(C)(C)C)cc2n1.
What is the InChIKey of 2-tert-butyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IXPNXDYQQXAYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-11(2,3)7-5-8-12-9(16-4)6-10(15)14(8)13-7/h5-6,13H,1-4H3.
What are the key properties of 2-tert-butyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-tert-butyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 237.33 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 10633632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).