6-cyclohexyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine

C16H17N3S — CID 5329472

IUPAC6-cyclohexyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
SMILESc1cc(-c2cnn3cc(C4CCCCC4)cnc23)cs1
InChIInChI=1S/C16H17N3S/c1-2-4-12(5-3-1)14-8-17-16-15(9-18-19(16)10-14)13-6-7-20-11-13/h6-12H,1-5H2
InChIKeyRHPUWFUSVUHZNE-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.51
Rot. Bonds2

About 6-cyclohexyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine

6-cyclohexyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 5329472) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 6-cyclohexyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-cyclohexyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
PubChem CID5329472
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name6-cyclohexyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
SMILESc1cc(-c2cnn3cc(C4CCCCC4)cnc23)cs1
InChIInChI=1S/C16H17N3S/c1-2-4-12(5-3-1)14-8-17-16-15(9-18-19(16)10-14)13-6-7-20-11-13/h6-12H,1-5H2
InChIKeyRHPUWFUSVUHZNE-UHFFFAOYSA-N
XLogP4.51
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-cyclohexyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine (CID 5329472) is 6-cyclohexyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-cyclohexyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-cyclohexyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine is c1cc(-c2cnn3cc(C4CCCCC4)cnc23)cs1.
What is the InChIKey of 6-cyclohexyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is RHPUWFUSVUHZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-2-4-12(5-3-1)14-8-17-16-15(9-18-19(16)10-14)13-6-7-20-11-13/h6-12H,1-5H2.
What are the key properties of 6-cyclohexyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine?
6-cyclohexyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 283.40 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 5329472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).