4-[2-(3-bromopropyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine

C13H17BrN4 — CID 113446660

IUPAC4-[2-(3-bromopropyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine
SMILESBrCCCC1CCCN1c1nccn2nccc12
InChIInChI=1S/C13H17BrN4/c14-6-1-3-11-4-2-9-17(11)13-12-5-7-16-18(12)10-8-15-13/h5,7-8,10-11H,1-4,6,9H2
InChIKeyQDCFQYHLDDKTGG-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.87
Rot. Bonds4

About 4-[2-(3-bromopropyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine

4-[2-(3-bromopropyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine (PubChem CID 113446660) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 4-[2-(3-bromopropyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[2-(3-bromopropyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine
PubChem CID113446660
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name4-[2-(3-bromopropyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine
SMILESBrCCCC1CCCN1c1nccn2nccc12
InChIInChI=1S/C13H17BrN4/c14-6-1-3-11-4-2-9-17(11)13-12-5-7-16-18(12)10-8-15-13/h5,7-8,10-11H,1-4,6,9H2
InChIKeyQDCFQYHLDDKTGG-UHFFFAOYSA-N
XLogP2.87
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)acetic acid
CID 104729407
2-methyl-N-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)methyl]propan-2-amine
CID 104733642
3-[2-(3-bromopropyl)pyrrolidin-1-yl]-1-ethylpyrazin-2-one
CID 80680246
1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-2-carbaldehyde
CID 104733726
2-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-propan-2-yloxypyridine
CID 113371357
4-[2-(3-bromopropyl)pyrrolidin-1-yl]thieno[3,2-c]pyridine
CID 80679780
3-[2-(3-bromopropyl)pyrrolidin-1-yl]pyridazine
CID 80680463
(4-methyl-1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)methanamine
CID 103442320
methyl 1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylate
CID 113446554
4-[3-(bromomethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine
CID 104734120
3-bromo-2-[2-(2-bromoethyl)piperidin-1-yl]pyridine
CID 80662154
2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-methylpyridine
CID 80679655

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromopropyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[2-(3-bromopropyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine (CID 113446660) is 4-[2-(3-bromopropyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[2-(3-bromopropyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[2-(3-bromopropyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine is BrCCCC1CCCN1c1nccn2nccc12.
What is the InChIKey of 4-[2-(3-bromopropyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine?
The InChIKey is QDCFQYHLDDKTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c14-6-1-3-11-4-2-9-17(11)13-12-5-7-16-18(12)10-8-15-13/h5,7-8,10-11H,1-4,6,9H2.
What are the key properties of 4-[2-(3-bromopropyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine?
4-[2-(3-bromopropyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine has a molecular weight of 309.21 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromopropyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 113446660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).