5,6-dimethyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C12H11N3OS — CID 784808

IUPAC5,6-dimethyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(-c3cccs3)[nH]n2c(=O)c1C
InChIInChI=1S/C12H11N3OS/c1-7-8(2)13-11-6-9(10-4-3-5-17-10)14-15(11)12(7)16/h3-6,14H,1-2H3
InChIKeyDULYVEIKXXFRPW-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.37
Rot. Bonds1

About 5,6-dimethyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5,6-dimethyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 784808) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 5,6-dimethyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5,6-dimethyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID784808
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name5,6-dimethyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(-c3cccs3)[nH]n2c(=O)c1C
InChIInChI=1S/C12H11N3OS/c1-7-8(2)13-11-6-9(10-4-3-5-17-10)14-15(11)12(7)16/h3-6,14H,1-2H3
InChIKeyDULYVEIKXXFRPW-UHFFFAOYSA-N
XLogP2.37
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5,6-dimethyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 784808) is 5,6-dimethyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5,6-dimethyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5,6-dimethyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc(-c3cccs3)[nH]n2c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DULYVEIKXXFRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-7-8(2)13-11-6-9(10-4-3-5-17-10)14-15(11)12(7)16/h3-6,14H,1-2H3.
What are the key properties of 5,6-dimethyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5,6-dimethyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 245.31 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 784808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).