3-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

C19H17N3O3S — CID 16740482

IUPAC3-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2cnc3c(-c4cccs4)cnn3c2)cc(OC)c1OC
InChIInChI=1S/C19H17N3O3S/c1-23-15-7-12(8-16(24-2)18(15)25-3)13-9-20-19-14(10-21-22(19)11-13)17-5-4-6-26-17/h4-11H,1-3H3
InChIKeyAOQHNIAJGWWNOX-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.15
Rot. Bonds5

About 3-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

3-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 16740482) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID16740482
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name3-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2cnc3c(-c4cccs4)cnn3c2)cc(OC)c1OC
InChIInChI=1S/C19H17N3O3S/c1-23-15-7-12(8-16(24-2)18(15)25-3)13-9-20-19-14(10-21-22(19)11-13)17-5-4-6-26-17/h4-11H,1-3H3
InChIKeyAOQHNIAJGWWNOX-UHFFFAOYSA-N
XLogP4.15
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 59662513
6-(3-methylazetidin-1-yl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 157036621
3-(3,4-dimethoxy-5-methylphenyl)-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine
CID 130188353
2-thiophen-2-yl-7-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71708725
2-(2-methylphenyl)thiophene;1-(3,4,5-trimethoxyphenyl)ethanone
CID 143844967
3,4,5-trimethoxy-N-(4-thiophen-2-ylphenyl)-N-(3,4,5-trimethoxyphenyl)aniline
CID 169408874
2-(5-fluoro-2-methoxyphenyl)thiophene
CID 22723462
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
N-methyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 141119651
7,8-dimethoxy-3-thiophen-2-ylisoquinoline
CID 177380109
7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 170442659
2-(4,8-dimethoxy-5-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 22996753

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 16740482) is 3-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is COc1cc(-c2cnc3c(-c4cccs4)cnn3c2)cc(OC)c1OC.
What is the InChIKey of 3-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is AOQHNIAJGWWNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-23-15-7-12(8-16(24-2)18(15)25-3)13-9-20-19-14(10-21-22(19)11-13)17-5-4-6-26-17/h4-11H,1-3H3.
What are the key properties of 3-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
3-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 367.43 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 16740482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).