5-(propan-2-ylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C10H13N3OS — CID 140919070

IUPAC5-(propan-2-ylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)SCc1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C10H13N3OS/c1-7(2)15-6-8-5-10(14)13-9(12-8)3-4-11-13/h3-5,7,11H,6H2,1-2H3
InChIKeyOZXWUARNUSDBHH-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.66
Rot. Bonds3

About 5-(propan-2-ylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(propan-2-ylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 140919070) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 5-(propan-2-ylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(propan-2-ylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID140919070
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name5-(propan-2-ylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)SCc1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C10H13N3OS/c1-7(2)15-6-8-5-10(14)13-9(12-8)3-4-11-13/h3-5,7,11H,6H2,1-2H3
InChIKeyOZXWUARNUSDBHH-UHFFFAOYSA-N
XLogP1.66
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-ylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(propan-2-ylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 140919070) is 5-(propan-2-ylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(propan-2-ylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(propan-2-ylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC(C)SCc1cc(=O)n2[nH]ccc2n1.
What is the InChIKey of 5-(propan-2-ylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is OZXWUARNUSDBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7(2)15-6-8-5-10(14)13-9(12-8)3-4-11-13/h3-5,7,11H,6H2,1-2H3.
What are the key properties of 5-(propan-2-ylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(propan-2-ylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 223.30 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-ylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 140919070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).