2-bromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine

C10H12BrN5 — CID 141379099

IUPAC2-bromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESBrc1cc2nc(N3CCNCC3)ccn2n1
InChIInChI=1S/C10H12BrN5/c11-8-7-10-13-9(1-4-16(10)14-8)15-5-2-12-3-6-15/h1,4,7,12H,2-3,5-6H2
InChIKeyKGWXDBWFCLUKKZ-UHFFFAOYSA-N
MW282.14 g/mol
LogP0.90
Rot. Bonds1

About 2-bromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine

2-bromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 141379099) has the molecular formula C10H12BrN5 and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-bromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-bromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID141379099
Molecular FormulaC10H12BrN5
Molecular Weight282.14 g/mol
Exact Mass281.03
IUPAC Name2-bromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESBrc1cc2nc(N3CCNCC3)ccn2n1
InChIInChI=1S/C10H12BrN5/c11-8-7-10-13-9(1-4-16(10)14-8)15-5-2-12-3-6-15/h1,4,7,12H,2-3,5-6H2
InChIKeyKGWXDBWFCLUKKZ-UHFFFAOYSA-N
XLogP0.90
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine
CID 115371975
7-bromo-2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116990026
2-tert-butyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 117236422
2-(1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 82276271
1-(5-bromo-6-methoxy-2-pyridinyl)piperazine;dihydrochloride
CID 127263496
2,4-di(piperazin-1-yl)pyrimidine
CID 6610945
6-piperazin-1-ylpyrimidine-2,4-diamine
CID 21363888
2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117257850
7-methyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116989716
5-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 115372799
5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 146599876
7-piperazin-1-yl-2-(thian-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117236349

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-bromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine (CID 141379099) is 2-bromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-bromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-bromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine is Brc1cc2nc(N3CCNCC3)ccn2n1.
What is the InChIKey of 2-bromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is KGWXDBWFCLUKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5/c11-8-7-10-13-9(1-4-16(10)14-8)15-5-2-12-3-6-15/h1,4,7,12H,2-3,5-6H2.
What are the key properties of 2-bromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine?
2-bromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 282.14 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 141379099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).