4-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one

C12H10N4OS — CID 136980831

IUPAC4-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one
SMILESCn1cc(-c2cc(=O)[nH]c(-c3cccs3)n2)cn1
InChIInChI=1S/C12H10N4OS/c1-16-7-8(6-13-16)9-5-11(17)15-12(14-9)10-3-2-4-18-10/h2-7H,1H3,(H,14,15,17)
InChIKeyRYZKCEQKVOQGIZ-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.90
Rot. Bonds2

About 4-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one

4-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one (PubChem CID 136980831) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one
PubChem CID136980831
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name4-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one
SMILESCn1cc(-c2cc(=O)[nH]c(-c3cccs3)n2)cn1
InChIInChI=1S/C12H10N4OS/c1-16-7-8(6-13-16)9-5-11(17)15-12(14-9)10-3-2-4-18-10/h2-7H,1H3,(H,14,15,17)
InChIKeyRYZKCEQKVOQGIZ-UHFFFAOYSA-N
XLogP1.90
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one (CID 136980831) is 4-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one is Cn1cc(-c2cc(=O)[nH]c(-c3cccs3)n2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one?
The InChIKey is RYZKCEQKVOQGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-16-7-8(6-13-16)9-5-11(17)15-12(14-9)10-3-2-4-18-10/h2-7H,1H3,(H,14,15,17).
What are the key properties of 4-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one?
4-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one has a molecular weight of 258.31 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136980831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).