5-tert-butyl-2-methyl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H17N3OS — CID 67095699

IUPAC5-tert-butyl-2-methyl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(C(C)(C)C)nc2c1-c1cccs1
InChIInChI=1S/C15H17N3OS/c1-9-13(10-6-5-7-20-10)14-16-11(15(2,3)4)8-12(19)18(14)17-9/h5-8,17H,1-4H3
InChIKeyRNDAWGVLNUGQDG-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.36
Rot. Bonds1

About 5-tert-butyl-2-methyl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-tert-butyl-2-methyl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 67095699) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID67095699
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name5-tert-butyl-2-methyl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(C(C)(C)C)nc2c1-c1cccs1
InChIInChI=1S/C15H17N3OS/c1-9-13(10-6-5-7-20-10)14-16-11(15(2,3)4)8-12(19)18(14)17-9/h5-8,17H,1-4H3
InChIKeyRNDAWGVLNUGQDG-UHFFFAOYSA-N
XLogP3.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-tert-butyl-2-methyl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 67095699) is 5-tert-butyl-2-methyl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-tert-butyl-2-methyl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-tert-butyl-2-methyl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1[nH]n2c(=O)cc(C(C)(C)C)nc2c1-c1cccs1.
What is the InChIKey of 5-tert-butyl-2-methyl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RNDAWGVLNUGQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-9-13(10-6-5-7-20-10)14-16-11(15(2,3)4)8-12(19)18(14)17-9/h5-8,17H,1-4H3.
What are the key properties of 5-tert-butyl-2-methyl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-tert-butyl-2-methyl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 287.39 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 67095699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).