6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C17H14N4OS — CID 24894505

IUPAC6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cnc3c(-c4ccsc4)cnn3c2N)cc1
InChIInChI=1S/C17H14N4OS/c1-22-13-4-2-11(3-5-13)14-8-19-17-15(12-6-7-23-10-12)9-20-21(17)16(14)18/h2-10H,18H2,1H3
InChIKeyROQFBUYLOFPCLL-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.72
Rot. Bonds3

About 6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 24894505) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID24894505
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cnc3c(-c4ccsc4)cnn3c2N)cc1
InChIInChI=1S/C17H14N4OS/c1-22-13-4-2-11(3-5-13)14-8-19-17-15(12-6-7-23-10-12)9-20-21(17)16(14)18/h2-10H,18H2,1H3
InChIKeyROQFBUYLOFPCLL-UHFFFAOYSA-N
XLogP3.72
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 24894505) is 6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2cnc3c(-c4ccsc4)cnn3c2N)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ROQFBUYLOFPCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-22-13-4-2-11(3-5-13)14-8-19-17-15(12-6-7-23-10-12)9-20-21(17)16(14)18/h2-10H,18H2,1H3.
What are the key properties of 6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 322.39 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 24894505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).