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

C15H17N7 — CID 29255699

IUPAC3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine
SMILESc1cnc(N2CCN(Cc3cnn4cccnc34)CC2)nc1
InChIInChI=1S/C15H17N7/c1-3-17-15(18-4-1)21-9-7-20(8-10-21)12-13-11-19-22-6-2-5-16-14(13)22/h1-6,11H,7-10,12H2
InChIKeyIPPBLVWPAZDRJS-UHFFFAOYSA-N
MW295.35 g/mol
LogP0.84
Rot. Bonds3

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

3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 29255699) has the molecular formula C15H17N7 and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine
PubChem CID29255699
Molecular FormulaC15H17N7
Molecular Weight295.35 g/mol
Exact Mass295.15
IUPAC Name3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine
SMILESc1cnc(N2CCN(Cc3cnn4cccnc34)CC2)nc1
InChIInChI=1S/C15H17N7/c1-3-17-15(18-4-1)21-9-7-20(8-10-21)12-13-11-19-22-6-2-5-16-14(13)22/h1-6,11H,7-10,12H2
InChIKeyIPPBLVWPAZDRJS-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-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine (CID 29255699) is 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine is c1cnc(N2CCN(Cc3cnn4cccnc34)CC2)nc1.
What is the InChIKey of 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is IPPBLVWPAZDRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7/c1-3-17-15(18-4-1)21-9-7-20(8-10-21)12-13-11-19-22-6-2-5-16-14(13)22/h1-6,11H,7-10,12H2.
What are the key properties of 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine?
3-[(4-pyrimidin-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-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 29255699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).