5-ethyl-2,3-dimethyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine

C14H21N5 — CID 70785455

IUPAC5-ethyl-2,3-dimethyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(N2CCNCC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C14H21N5/c1-4-12-9-13(18-7-5-15-6-8-18)19-14(16-12)10(2)11(3)17-19/h9,15H,4-8H2,1-3H3
InChIKeyXXOFHZLKLRYCEN-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.32
Rot. Bonds2

About 5-ethyl-2,3-dimethyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine

5-ethyl-2,3-dimethyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 70785455) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 5-ethyl-2,3-dimethyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-ethyl-2,3-dimethyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID70785455
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name5-ethyl-2,3-dimethyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(N2CCNCC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C14H21N5/c1-4-12-9-13(18-7-5-15-6-8-18)19-14(16-12)10(2)11(3)17-19/h9,15H,4-8H2,1-3H3
InChIKeyXXOFHZLKLRYCEN-UHFFFAOYSA-N
XLogP1.32
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dimethyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-ethyl-2,3-dimethyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine (CID 70785455) is 5-ethyl-2,3-dimethyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-ethyl-2,3-dimethyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-ethyl-2,3-dimethyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine is CCc1cc(N2CCNCC2)n2nc(C)c(C)c2n1.
What is the InChIKey of 5-ethyl-2,3-dimethyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is XXOFHZLKLRYCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-12-9-13(18-7-5-15-6-8-18)19-14(16-12)10(2)11(3)17-19/h9,15H,4-8H2,1-3H3.
What are the key properties of 5-ethyl-2,3-dimethyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine?
5-ethyl-2,3-dimethyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 259.36 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-dimethyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 70785455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).