methyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylacetate

C10H10N4O2S — CID 23546044

IUPACmethyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylacetate
SMILESCOC(=O)CSc1nccc(-n2cccn2)n1
InChIInChI=1S/C10H10N4O2S/c1-16-9(15)7-17-10-11-5-3-8(13-10)14-6-2-4-12-14/h2-6H,7H2,1H3
InChIKeyZXXWALZVYSLQMI-UHFFFAOYSA-N
MW250.28 g/mol
LogP0.93
Rot. Bonds4

About methyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylacetate

methyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylacetate (PubChem CID 23546044) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is methyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylacetate
PubChem CID23546044
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Namemethyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylacetate
SMILESCOC(=O)CSc1nccc(-n2cccn2)n1
InChIInChI=1S/C10H10N4O2S/c1-16-9(15)7-17-10-11-5-3-8(13-10)14-6-2-4-12-14/h2-6H,7H2,1H3
InChIKeyZXXWALZVYSLQMI-UHFFFAOYSA-N
XLogP0.93
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylacetate?
The IUPAC name of methyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylacetate (CID 23546044) is methyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylacetate is COC(=O)CSc1nccc(-n2cccn2)n1.
What is the InChIKey of methyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylacetate?
The InChIKey is ZXXWALZVYSLQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-16-9(15)7-17-10-11-5-3-8(13-10)14-6-2-4-12-14/h2-6H,7H2,1H3.
What are the key properties of methyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylacetate?
methyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylacetate has a molecular weight of 250.28 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylacetate is sourced from PubChem (CID 23546044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).