5-chloro-7-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine

C14H14ClN7 — CID 134794475

IUPAC5-chloro-7-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cc(N2CCN(c3ncccn3)CC2)n2nccc2n1
InChIInChI=1S/C14H14ClN7/c15-11-10-13(22-12(19-11)2-5-18-22)20-6-8-21(9-7-20)14-16-3-1-4-17-14/h1-5,10H,6-9H2
InChIKeyKMEZSXHUNDQWNA-UHFFFAOYSA-N
MW315.77 g/mol
LogP1.50
Rot. Bonds2

About 5-chloro-7-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine

5-chloro-7-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 134794475) has the molecular formula C14H14ClN7 and a molecular weight of 315.77 g/mol. Its IUPAC name is 5-chloro-7-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID134794475
Molecular FormulaC14H14ClN7
Molecular Weight315.77 g/mol
Exact Mass315.10
IUPAC Name5-chloro-7-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cc(N2CCN(c3ncccn3)CC2)n2nccc2n1
InChIInChI=1S/C14H14ClN7/c15-11-10-13(22-12(19-11)2-5-18-22)20-6-8-21(9-7-20)14-16-3-1-4-17-14/h1-5,10H,6-9H2
InChIKeyKMEZSXHUNDQWNA-UHFFFAOYSA-N
XLogP1.50
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.77
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-7-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine (CID 134794475) is 5-chloro-7-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-7-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-7-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine is Clc1cc(N2CCN(c3ncccn3)CC2)n2nccc2n1.
What is the InChIKey of 5-chloro-7-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is KMEZSXHUNDQWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN7/c15-11-10-13(22-12(19-11)2-5-18-22)20-6-8-21(9-7-20)14-16-3-1-4-17-14/h1-5,10H,6-9H2.
What are the key properties of 5-chloro-7-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
5-chloro-7-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 315.77 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 134794475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).