2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine

C11H9N3S — CID 735873

IUPAC2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nccc(-c3cccs3)n2n1
InChIInChI=1S/C11H9N3S/c1-8-7-11-12-5-4-9(14(11)13-8)10-3-2-6-15-10/h2-7H,1H3
InChIKeyNMBCDIVQGUULSR-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.77
Rot. Bonds1

About 2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine

2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 735873) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID735873
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nccc(-c3cccs3)n2n1
InChIInChI=1S/C11H9N3S/c1-8-7-11-12-5-4-9(14(11)13-8)10-3-2-6-15-10/h2-7H,1H3
InChIKeyNMBCDIVQGUULSR-UHFFFAOYSA-N
XLogP2.77
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (CID 735873) is 2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is Cc1cc2nccc(-c3cccs3)n2n1.
What is the InChIKey of 2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is NMBCDIVQGUULSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c1-8-7-11-12-5-4-9(14(11)13-8)10-3-2-6-15-10/h2-7H,1H3.
What are the key properties of 2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 215.28 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 735873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).