5-(1-methylpyrazol-4-yl)-3H-thieno[2,3-d]pyrimidin-4-one

C10H8N4OS — CID 73333844

IUPAC5-(1-methylpyrazol-4-yl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCn1cc(-c2csc3nc[nH]c(=O)c23)cn1
InChIInChI=1S/C10H8N4OS/c1-14-3-6(2-13-14)7-4-16-10-8(7)9(15)11-5-12-10/h2-5H,1H3,(H,11,12,15)
InChIKeyZNKLYOSJGKTQKV-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.39
Rot. Bonds1

About 5-(1-methylpyrazol-4-yl)-3H-thieno[2,3-d]pyrimidin-4-one

5-(1-methylpyrazol-4-yl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 73333844) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID73333844
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC Name5-(1-methylpyrazol-4-yl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCn1cc(-c2csc3nc[nH]c(=O)c23)cn1
InChIInChI=1S/C10H8N4OS/c1-14-3-6(2-13-14)7-4-16-10-8(7)9(15)11-5-12-10/h2-5H,1H3,(H,11,12,15)
InChIKeyZNKLYOSJGKTQKV-UHFFFAOYSA-N
XLogP1.39
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 73333844) is 5-(1-methylpyrazol-4-yl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-3H-thieno[2,3-d]pyrimidin-4-one is Cn1cc(-c2csc3nc[nH]c(=O)c23)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is ZNKLYOSJGKTQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS/c1-14-3-6(2-13-14)7-4-16-10-8(7)9(15)11-5-12-10/h2-5H,1H3,(H,11,12,15).
What are the key properties of 5-(1-methylpyrazol-4-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
5-(1-methylpyrazol-4-yl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 232.27 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 73333844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).