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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Related Compounds

1-(2-{4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}ethyl)piperidine
CID 5329450
6-(4-Methoxy-phenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CID 5329337
4-(2-{4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}ethyl)morpholine
CID 5329446
4-(2-{3-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}ethyl)morpholine
CID 5329448
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
Dimethyl(3-{4-[3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}propyl)amine
CID 5329449
Benzyl(2-methoxyethyl)(2-{4-[3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}ethyl)amine
CID 5329451
4-[3-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329466
3-(4-Fluorophenyl)-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1474443
6-(4-Methoxyphenyl)-5-methyl-3-(3-thienyl)pyrazolo[1,5-a]pyrimidin-7-ylamine
CID 1481773
3-(4-methoxybenzyl)-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
CID 753568

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).