1-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone

C16H23N5O — CID 56885843

IUPAC1-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
SMILESCCc1cc(N2CCN(C(C)=O)CC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C16H23N5O/c1-5-14-10-15(20-8-6-19(7-9-20)13(4)22)21-16(17-14)11(2)12(3)18-21/h10H,5-9H2,1-4H3
InChIKeyYBCGFMSNTZMYEN-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.58
Rot. Bonds2

About 1-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone

1-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone (PubChem CID 56885843) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
PubChem CID56885843
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name1-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
SMILESCCc1cc(N2CCN(C(C)=O)CC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C16H23N5O/c1-5-14-10-15(20-8-6-19(7-9-20)13(4)22)21-16(17-14)11(2)12(3)18-21/h10H,5-9H2,1-4H3
InChIKeyYBCGFMSNTZMYEN-UHFFFAOYSA-N
XLogP1.58
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone (CID 56885843) is 1-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone is CCc1cc(N2CCN(C(C)=O)CC2)n2nc(C)c(C)c2n1.
What is the InChIKey of 1-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone?
The InChIKey is YBCGFMSNTZMYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-5-14-10-15(20-8-6-19(7-9-20)13(4)22)21-16(17-14)11(2)12(3)18-21/h10H,5-9H2,1-4H3.
What are the key properties of 1-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone?
1-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone has a molecular weight of 301.39 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 56885843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).