3-bromo-2-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidine

C10H11BrN4 — CID 84711827

IUPAC3-bromo-2-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidine
SMILESBrc1c(C2CCNC2)nn2cccnc12
InChIInChI=1S/C10H11BrN4/c11-8-9(7-2-4-12-6-7)14-15-5-1-3-13-10(8)15/h1,3,5,7,12H,2,4,6H2
InChIKeyTUCKJGVUUGDHTN-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.57
Rot. Bonds1

About 3-bromo-2-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidine

3-bromo-2-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 84711827) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is 3-bromo-2-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-2-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidine
PubChem CID84711827
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name3-bromo-2-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidine
SMILESBrc1c(C2CCNC2)nn2cccnc12
InChIInChI=1S/C10H11BrN4/c11-8-9(7-2-4-12-6-7)14-15-5-1-3-13-10(8)15/h1,3,5,7,12H,2,4,6H2
InChIKeyTUCKJGVUUGDHTN-UHFFFAOYSA-N
XLogP1.57
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-8-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83832036
2-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 84671641
(3-bromo-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 103319584
3-bromo-8-pyrrolidin-3-ylimidazo[1,2-a]pyridine
CID 83844579
8-methyl-2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 117135835
2-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 82271954
8-methyl-1-pyrrolidin-3-ylimidazo[1,5-a]pyridine
CID 83831895
8-bromo-3-pyrrolidin-3-ylimidazo[1,2-c]pyrimidine
CID 84711822
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine
CID 66509747
3-pyrrolidin-3-ylpyridin-2-amine;hydrochloride
CID 153387419
3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine;dihydrochloride
CID 142763409
2-cyclohexyl-3-nitropyrazolo[1,5-a]pyrimidine
CID 141082095

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-2-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidine (CID 84711827) is 3-bromo-2-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-2-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-2-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidine is Brc1c(C2CCNC2)nn2cccnc12.
What is the InChIKey of 3-bromo-2-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is TUCKJGVUUGDHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c11-8-9(7-2-4-12-6-7)14-15-5-1-3-13-10(8)15/h1,3,5,7,12H,2,4,6H2.
What are the key properties of 3-bromo-2-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidine?
3-bromo-2-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 267.13 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 84711827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).