3-chloro-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine

C10H12ClN5 — CID 105499879

IUPAC3-chloro-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESClc1cnn2c(N3CCNCC3)ccnc12
InChIInChI=1S/C10H12ClN5/c11-8-7-14-16-9(1-2-13-10(8)16)15-5-3-12-4-6-15/h1-2,7,12H,3-6H2
InChIKeyZAHJQRKZLHQRTI-UHFFFAOYSA-N
MW237.69 g/mol
LogP0.79
Rot. Bonds1

About 3-chloro-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine

3-chloro-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 105499879) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 3-chloro-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-chloro-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID105499879
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name3-chloro-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESClc1cnn2c(N3CCNCC3)ccnc12
InChIInChI=1S/C10H12ClN5/c11-8-7-14-16-9(1-2-13-10(8)16)15-5-3-12-4-6-15/h1-2,7,12H,3-6H2
InChIKeyZAHJQRKZLHQRTI-UHFFFAOYSA-N
XLogP0.79
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-3-chloropyrazolo[1,5-a]pyrimidine
CID 119081602
3-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 126471525
5-chloro-4-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridine;dihydrochloride
CID 68761356
3,6-dichloro-4-piperazin-1-ylquinoline
CID 121236121
1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine
CID 171059987
dichloroosmium;bis(1-[2-(4-piperazin-1-yl-2-pyridinyl)-4-pyridinyl]piperazine)
CID 144800267
1-(2-chlorophenyl)piperazine
CID 162116490
3-chloro-5,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236465
8-[7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 126472620
3-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine
CID 84683018
2,4-di(piperazin-1-yl)pyrimidine
CID 6610945
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-chloro-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine (CID 105499879) is 3-chloro-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-chloro-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-chloro-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine is Clc1cnn2c(N3CCNCC3)ccnc12.
What is the InChIKey of 3-chloro-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ZAHJQRKZLHQRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c11-8-7-14-16-9(1-2-13-10(8)16)15-5-3-12-4-6-15/h1-2,7,12H,3-6H2.
What are the key properties of 3-chloro-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine?
3-chloro-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 237.69 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 105499879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).