2-ethylsulfanyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C9H11N3OS — CID 177235853

IUPAC2-ethylsulfanyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCSc1[nH]n2c(=O)ccnc2c1C
InChIInChI=1S/C9H11N3OS/c1-3-14-9-6(2)8-10-5-4-7(13)12(8)11-9/h4-5,11H,3H2,1-2H3
InChIKeyMMODMHQCWNZRGQ-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.44
Rot. Bonds2

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

2-ethylsulfanyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 177235853) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-ethylsulfanyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-ethylsulfanyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID177235853
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name2-ethylsulfanyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCSc1[nH]n2c(=O)ccnc2c1C
InChIInChI=1S/C9H11N3OS/c1-3-14-9-6(2)8-10-5-4-7(13)12(8)11-9/h4-5,11H,3H2,1-2H3
InChIKeyMMODMHQCWNZRGQ-UHFFFAOYSA-N
XLogP1.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-ethylsulfanyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 177235853) is 2-ethylsulfanyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-ethylsulfanyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-ethylsulfanyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCSc1[nH]n2c(=O)ccnc2c1C.
What is the InChIKey of 2-ethylsulfanyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MMODMHQCWNZRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-3-14-9-6(2)8-10-5-4-7(13)12(8)11-9/h4-5,11H,3H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-ethylsulfanyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 209.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 177235853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).