3-bromo-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-amine;1,4-difluorobenzene

C16H16BrF2N5 — CID 142335501

IUPAC3-bromo-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-amine;1,4-difluorobenzene
SMILESFc1ccc(F)cc1.Nc1nn2ccc(N3CCCC3)nc2c1Br
InChIInChI=1S/C10H12BrN5.C6H4F2/c11-8-9(12)14-16-6-3-7(13-10(8)16)15-4-1-2-5-15;7-5-1-2-6(8)4-3-5/h3,6H,1-2,4-5H2,(H2,12,14);1-4H
InChIKeyXREXPAUPKFEABW-UHFFFAOYSA-N
MW396.24 g/mol
LogP3.64
Rot. Bonds1

About 3-bromo-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-amine;1,4-difluorobenzene

3-bromo-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-amine;1,4-difluorobenzene (PubChem CID 142335501) has the molecular formula C16H16BrF2N5 and a molecular weight of 396.24 g/mol. Its IUPAC name is 3-bromo-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-amine;1,4-difluorobenzene.

Molecular Properties

Compound Name3-bromo-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-amine;1,4-difluorobenzene
PubChem CID142335501
Molecular FormulaC16H16BrF2N5
Molecular Weight396.24 g/mol
Exact Mass395.06
IUPAC Name3-bromo-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-amine;1,4-difluorobenzene
SMILESFc1ccc(F)cc1.Nc1nn2ccc(N3CCCC3)nc2c1Br
InChIInChI=1S/C10H12BrN5.C6H4F2/c11-8-9(12)14-16-6-3-7(13-10(8)16)15-4-1-2-5-15;7-5-1-2-6(8)4-3-5/h3,6H,1-2,4-5H2,(H2,12,14);1-4H
InChIKeyXREXPAUPKFEABW-UHFFFAOYSA-N
XLogP3.64
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-amine;1,4-difluorobenzene?
The IUPAC name of 3-bromo-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-amine;1,4-difluorobenzene (CID 142335501) is 3-bromo-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-amine;1,4-difluorobenzene.
What is the SMILES notation for 3-bromo-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-amine;1,4-difluorobenzene?
The canonical SMILES for 3-bromo-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-amine;1,4-difluorobenzene is Fc1ccc(F)cc1.Nc1nn2ccc(N3CCCC3)nc2c1Br.
What is the InChIKey of 3-bromo-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-amine;1,4-difluorobenzene?
The InChIKey is XREXPAUPKFEABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5.C6H4F2/c11-8-9(12)14-16-6-3-7(13-10(8)16)15-4-1-2-5-15;7-5-1-2-6(8)4-3-5/h3,6H,1-2,4-5H2,(H2,12,14);1-4H.
What are the key properties of 3-bromo-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-amine;1,4-difluorobenzene?
3-bromo-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-amine;1,4-difluorobenzene has a molecular weight of 396.24 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-amine;1,4-difluorobenzene is sourced from PubChem (CID 142335501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).