2-[(2,5-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]ethanol

C15H18N4OS — CID 16668484

IUPAC2-[(2,5-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]ethanol
SMILESCc1cc(N(C)CCO)n2nc(C)c(-c3cccs3)c2n1
InChIInChI=1S/C15H18N4OS/c1-10-9-13(18(3)6-7-20)19-15(16-10)14(11(2)17-19)12-5-4-8-21-12/h4-5,8-9,20H,6-7H2,1-3H3
InChIKeyCCEPTVOAIXNABQ-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.50
Rot. Bonds4

About 2-[(2,5-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]ethanol

2-[(2,5-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]ethanol (PubChem CID 16668484) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[(2,5-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(2,5-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]ethanol
PubChem CID16668484
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-[(2,5-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]ethanol
SMILESCc1cc(N(C)CCO)n2nc(C)c(-c3cccs3)c2n1
InChIInChI=1S/C15H18N4OS/c1-10-9-13(18(3)6-7-20)19-15(16-10)14(11(2)17-19)12-5-4-8-21-12/h4-5,8-9,20H,6-7H2,1-3H3
InChIKeyCCEPTVOAIXNABQ-UHFFFAOYSA-N
XLogP2.50
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]ethanol?
The IUPAC name of 2-[(2,5-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]ethanol (CID 16668484) is 2-[(2,5-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(2,5-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(2,5-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]ethanol is Cc1cc(N(C)CCO)n2nc(C)c(-c3cccs3)c2n1.
What is the InChIKey of 2-[(2,5-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]ethanol?
The InChIKey is CCEPTVOAIXNABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10-9-13(18(3)6-7-20)19-15(16-10)14(11(2)17-19)12-5-4-8-21-12/h4-5,8-9,20H,6-7H2,1-3H3.
What are the key properties of 2-[(2,5-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]ethanol?
2-[(2,5-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]ethanol has a molecular weight of 302.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]ethanol is sourced from PubChem (CID 16668484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).