6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine

C17H13N3OS — CID 5329468

IUPAC6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cnc3c(-c4ccsc4)cnn3c2)cc1
InChIInChI=1S/C17H13N3OS/c1-21-15-4-2-12(3-5-15)14-8-18-17-16(9-19-20(17)10-14)13-6-7-22-11-13/h2-11H,1H3
InChIKeyHBWLNACPIFKNIP-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.13
Rot. Bonds3

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

6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 5329468) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
PubChem CID5329468
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cnc3c(-c4ccsc4)cnn3c2)cc1
InChIInChI=1S/C17H13N3OS/c1-21-15-4-2-12(3-5-15)14-8-18-17-16(9-19-20(17)10-14)13-6-7-22-11-13/h2-11H,1H3
InChIKeyHBWLNACPIFKNIP-UHFFFAOYSA-N
XLogP4.13
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine (CID 5329468) is 6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine is COc1ccc(-c2cnc3c(-c4ccsc4)cnn3c2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is HBWLNACPIFKNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c1-21-15-4-2-12(3-5-15)14-8-18-17-16(9-19-20(17)10-14)13-6-7-22-11-13/h2-11H,1H3.
What are the key properties of 6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine?
6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 307.38 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 5329468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).