7-(3-methylthiophen-2-yl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C15H15N3S2 — CID 136839333

IUPAC7-(3-methylthiophen-2-yl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1ccsc1C1CCNc2cc(-c3cccs3)nn21
InChIInChI=1S/C15H15N3S2/c1-10-5-8-20-15(10)12-4-6-16-14-9-11(17-18(12)14)13-3-2-7-19-13/h2-3,5,7-9,12,16H,4,6H2,1H3
InChIKeyQFEWDUOMLOBISB-UHFFFAOYSA-N
MW301.44 g/mol
LogP4.39
Rot. Bonds2

About 7-(3-methylthiophen-2-yl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-(3-methylthiophen-2-yl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136839333) has the molecular formula C15H15N3S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 7-(3-methylthiophen-2-yl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3-methylthiophen-2-yl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136839333
Molecular FormulaC15H15N3S2
Molecular Weight301.44 g/mol
Exact Mass301.07
IUPAC Name7-(3-methylthiophen-2-yl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1ccsc1C1CCNc2cc(-c3cccs3)nn21
InChIInChI=1S/C15H15N3S2/c1-10-5-8-20-15(10)12-4-6-16-14-9-11(17-18(12)14)13-3-2-7-19-13/h2-3,5,7-9,12,16H,4,6H2,1H3
InChIKeyQFEWDUOMLOBISB-UHFFFAOYSA-N
XLogP4.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methylthiophen-2-yl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3-methylthiophen-2-yl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136839333) is 7-(3-methylthiophen-2-yl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3-methylthiophen-2-yl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3-methylthiophen-2-yl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1ccsc1C1CCNc2cc(-c3cccs3)nn21.
What is the InChIKey of 7-(3-methylthiophen-2-yl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is QFEWDUOMLOBISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S2/c1-10-5-8-20-15(10)12-4-6-16-14-9-11(17-18(12)14)13-3-2-7-19-13/h2-3,5,7-9,12,16H,4,6H2,1H3.
What are the key properties of 7-(3-methylthiophen-2-yl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(3-methylthiophen-2-yl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 301.44 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylthiophen-2-yl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136839333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).