(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

C16H16BrN5O2 — CID 50809172

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCCc1cc(C2CCCN2C(=O)c2cnn3cc(Br)cnc23)on1
InChIInChI=1S/C16H16BrN5O2/c1-2-11-6-14(24-20-11)13-4-3-5-21(13)16(23)12-8-19-22-9-10(17)7-18-15(12)22/h6-9,13H,2-5H2,1H3
InChIKeyXLWGIUHUPHCMOH-UHFFFAOYSA-N
MW390.24 g/mol
LogP3.02
Rot. Bonds3

About (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 50809172) has the molecular formula C16H16BrN5O2 and a molecular weight of 390.24 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID50809172
Molecular FormulaC16H16BrN5O2
Molecular Weight390.24 g/mol
Exact Mass389.05
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCCc1cc(C2CCCN2C(=O)c2cnn3cc(Br)cnc23)on1
InChIInChI=1S/C16H16BrN5O2/c1-2-11-6-14(24-20-11)13-4-3-5-21(13)16(23)12-8-19-22-9-10(17)7-18-15(12)22/h6-9,13H,2-5H2,1H3
InChIKeyXLWGIUHUPHCMOH-UHFFFAOYSA-N
XLogP3.02
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (CID 50809172) is (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is CCc1cc(C2CCCN2C(=O)c2cnn3cc(Br)cnc23)on1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is XLWGIUHUPHCMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5O2/c1-2-11-6-14(24-20-11)13-4-3-5-21(13)16(23)12-8-19-22-9-10(17)7-18-15(12)22/h6-9,13H,2-5H2,1H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 390.24 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 50809172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).