5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine

C12H11N3S — CID 51345972

IUPAC5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2ncc(-c3cccs3)c2n1
InChIInChI=1S/C12H11N3S/c1-8-6-9(2)15-12(14-8)10(7-13-15)11-4-3-5-16-11/h3-7H,1-2H3
InChIKeyTWLVZOYXHFXELW-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.07
Rot. Bonds1

About 5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine

5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 51345972) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID51345972
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2ncc(-c3cccs3)c2n1
InChIInChI=1S/C12H11N3S/c1-8-6-9(2)15-12(14-8)10(7-13-15)11-4-3-5-16-11/h3-7H,1-2H3
InChIKeyTWLVZOYXHFXELW-UHFFFAOYSA-N
XLogP3.07
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dichloro-6-methyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 82274615
3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 6500069
5,7-dimethyl-N-(6-thiophen-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121327439
3,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 18684975
6-[(3-fluorophenyl)methyl]-5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 3778176
ethane;7-methyl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 143439241
2-methyl-4-thiophen-2-ylquinoline
CID 11746306
5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 6484683
2,4-dimethyl-6-thiophen-2-ylpyrimidine
CID 15626100
3-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 15285472
5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 14422514
3-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 59662513

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (CID 51345972) is 5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2ncc(-c3cccs3)c2n1.
What is the InChIKey of 5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is TWLVZOYXHFXELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-8-6-9(2)15-12(14-8)10(7-13-15)11-4-3-5-16-11/h3-7H,1-2H3.
What are the key properties of 5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 229.31 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 51345972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).