6-bromo-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyrazine

C12H15BrN4O — CID 141437917

IUPAC6-bromo-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyrazine
SMILESC[C@@H](Oc1nc(Br)cn2nccc12)[C@@H]1CCNC1
InChIInChI=1S/C12H15BrN4O/c1-8(9-2-4-14-6-9)18-12-10-3-5-15-17(10)7-11(13)16-12/h3,5,7-9,14H,2,4,6H2,1H3/t8-,9-/m1/s1
InChIKeyXBOCQDYCOXWYCM-RKDXNWHRSA-N
MW311.18 g/mol
LogP1.87
Rot. Bonds3

About 6-bromo-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyrazine

6-bromo-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyrazine (PubChem CID 141437917) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is 6-bromo-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name6-bromo-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyrazine
PubChem CID141437917
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name6-bromo-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyrazine
SMILESC[C@@H](Oc1nc(Br)cn2nccc12)[C@@H]1CCNC1
InChIInChI=1S/C12H15BrN4O/c1-8(9-2-4-14-6-9)18-12-10-3-5-15-17(10)7-11(13)16-12/h3,5,7-9,14H,2,4,6H2,1H3/t8-,9-/m1/s1
InChIKeyXBOCQDYCOXWYCM-RKDXNWHRSA-N
XLogP1.87
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-bromo-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyrazine 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-bromo-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 6-bromo-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyrazine (CID 141437917) is 6-bromo-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 6-bromo-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 6-bromo-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyrazine is C[C@@H](Oc1nc(Br)cn2nccc12)[C@@H]1CCNC1.
What is the InChIKey of 6-bromo-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyrazine?
The InChIKey is XBOCQDYCOXWYCM-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H15BrN4O/c1-8(9-2-4-14-6-9)18-12-10-3-5-15-17(10)7-11(13)16-12/h3,5,7-9,14H,2,4,6H2,1H3/t8-,9-/m1/s1.
What are the key properties of 6-bromo-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyrazine?
6-bromo-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyrazine has a molecular weight of 311.18 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 141437917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).