2-ethyl-7-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine

C17H20N4S — CID 24865246

IUPAC2-ethyl-7-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2c(C3CCCNC3)ccnc2c1-c1cccs1
InChIInChI=1S/C17H20N4S/c1-2-13-16(15-6-4-10-22-15)17-19-9-7-14(21(17)20-13)12-5-3-8-18-11-12/h4,6-7,9-10,12,18H,2-3,5,8,11H2,1H3
InChIKeyWHSCXDGFYZAHTK-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.49
Rot. Bonds3

About 2-ethyl-7-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine

2-ethyl-7-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 24865246) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-ethyl-7-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-ethyl-7-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID24865246
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name2-ethyl-7-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2c(C3CCCNC3)ccnc2c1-c1cccs1
InChIInChI=1S/C17H20N4S/c1-2-13-16(15-6-4-10-22-15)17-19-9-7-14(21(17)20-13)12-5-3-8-18-11-12/h4,6-7,9-10,12,18H,2-3,5,8,11H2,1H3
InChIKeyWHSCXDGFYZAHTK-UHFFFAOYSA-N
XLogP3.49
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-ethyl-7-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (CID 24865246) is 2-ethyl-7-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-ethyl-7-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-ethyl-7-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is CCc1nn2c(C3CCCNC3)ccnc2c1-c1cccs1.
What is the InChIKey of 2-ethyl-7-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is WHSCXDGFYZAHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S/c1-2-13-16(15-6-4-10-22-15)17-19-9-7-14(21(17)20-13)12-5-3-8-18-11-12/h4,6-7,9-10,12,18H,2-3,5,8,11H2,1H3.
What are the key properties of 2-ethyl-7-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
2-ethyl-7-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 312.44 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 24865246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).