3-(4-chlorophenyl)-7-ethylsulfanyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine

C16H16ClN3S — CID 3549318

IUPAC3-(4-chlorophenyl)-7-ethylsulfanyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCCSc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12
InChIInChI=1S/C16H16ClN3S/c1-4-21-14-9-10(2)18-16-15(11(3)19-20(14)16)12-5-7-13(17)8-6-12/h5-9H,4H2,1-3H3
InChIKeyGZGLWBZPLFWPPE-UHFFFAOYSA-N
MW317.85 g/mol
LogP4.78
Rot. Bonds3

About 3-(4-chlorophenyl)-7-ethylsulfanyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine

3-(4-chlorophenyl)-7-ethylsulfanyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 3549318) has the molecular formula C16H16ClN3S and a molecular weight of 317.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-ethylsulfanyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-ethylsulfanyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID3549318
Molecular FormulaC16H16ClN3S
Molecular Weight317.85 g/mol
Exact Mass317.08
IUPAC Name3-(4-chlorophenyl)-7-ethylsulfanyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCCSc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12
InChIInChI=1S/C16H16ClN3S/c1-4-21-14-9-10(2)18-16-15(11(3)19-20(14)16)12-5-7-13(17)8-6-12/h5-9H,4H2,1-3H3
InChIKeyGZGLWBZPLFWPPE-UHFFFAOYSA-N
XLogP4.78
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.85
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-7-ethylsulfanyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-ethylsulfanyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-chlorophenyl)-7-ethylsulfanyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine (CID 3549318) is 3-(4-chlorophenyl)-7-ethylsulfanyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-chlorophenyl)-7-ethylsulfanyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-chlorophenyl)-7-ethylsulfanyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine is CCSc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12.
What is the InChIKey of 3-(4-chlorophenyl)-7-ethylsulfanyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is GZGLWBZPLFWPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3S/c1-4-21-14-9-10(2)18-16-15(11(3)19-20(14)16)12-5-7-13(17)8-6-12/h5-9H,4H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-7-ethylsulfanyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
3-(4-chlorophenyl)-7-ethylsulfanyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 317.85 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-ethylsulfanyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3549318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).