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

C11H8ClN3S — CID 1474415

IUPAC3-chloro-2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(-c3cccs3)ccnc2c1Cl
InChIInChI=1S/C11H8ClN3S/c1-7-10(12)11-13-5-4-8(15(11)14-7)9-3-2-6-16-9/h2-6H,1H3
InChIKeyYOVGOFVUIFIJCK-UHFFFAOYSA-N
MW249.73 g/mol
LogP3.42
Rot. Bonds1

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

3-chloro-2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 1474415) has the molecular formula C11H8ClN3S and a molecular weight of 249.73 g/mol. Its IUPAC name is 3-chloro-2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-chloro-2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID1474415
Molecular FormulaC11H8ClN3S
Molecular Weight249.73 g/mol
Exact Mass249.01
IUPAC Name3-chloro-2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(-c3cccs3)ccnc2c1Cl
InChIInChI=1S/C11H8ClN3S/c1-7-10(12)11-13-5-4-8(15(11)14-7)9-3-2-6-16-9/h2-6H,1H3
InChIKeyYOVGOFVUIFIJCK-UHFFFAOYSA-N
XLogP3.42
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.73
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-chloro-2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (CID 1474415) is 3-chloro-2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-chloro-2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-chloro-2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is Cc1nn2c(-c3cccs3)ccnc2c1Cl.
What is the InChIKey of 3-chloro-2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is YOVGOFVUIFIJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3S/c1-7-10(12)11-13-5-4-8(15(11)14-7)9-3-2-6-16-9/h2-6H,1H3.
What are the key properties of 3-chloro-2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
3-chloro-2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 249.73 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1474415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).