3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine

C15H17N7 — CID 39809039

IUPAC3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine
SMILESc1cnc2c(CN3CCN(c4cnccn4)CC3)cnn2c1
InChIInChI=1S/C15H17N7/c1-2-18-15-13(10-19-22(15)5-1)12-20-6-8-21(9-7-20)14-11-16-3-4-17-14/h1-5,10-11H,6-9,12H2
InChIKeyDZRMTXJHDXTNEV-UHFFFAOYSA-N
MW295.35 g/mol
LogP0.84
Rot. Bonds3

About 3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine

3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 39809039) has the molecular formula C15H17N7 and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine
PubChem CID39809039
Molecular FormulaC15H17N7
Molecular Weight295.35 g/mol
Exact Mass295.15
IUPAC Name3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine
SMILESc1cnc2c(CN3CCN(c4cnccn4)CC3)cnn2c1
InChIInChI=1S/C15H17N7/c1-2-18-15-13(10-19-22(15)5-1)12-20-6-8-21(9-7-20)14-11-16-3-4-17-14/h1-5,10-11H,6-9,12H2
InChIKeyDZRMTXJHDXTNEV-UHFFFAOYSA-N
XLogP0.84
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine (CID 39809039) is 3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine is c1cnc2c(CN3CCN(c4cnccn4)CC3)cnn2c1.
What is the InChIKey of 3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is DZRMTXJHDXTNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7/c1-2-18-15-13(10-19-22(15)5-1)12-20-6-8-21(9-7-20)14-11-16-3-4-17-14/h1-5,10-11H,6-9,12H2.
What are the key properties of 3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine?
3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 295.35 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 39809039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).