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

C11H13BrN4 — CID 104734120

IUPAC4-[3-(bromomethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine
SMILESBrCC1CCN(c2nccn3nccc23)C1
InChIInChI=1S/C11H13BrN4/c12-7-9-2-5-15(8-9)11-10-1-3-14-16(10)6-4-13-11/h1,3-4,6,9H,2,5,7-8H2
InChIKeyKKVLJDSCMKAKOZ-UHFFFAOYSA-N
MW281.16 g/mol
LogP1.95
Rot. Bonds2

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

4-[3-(bromomethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine (PubChem CID 104734120) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 4-[3-(bromomethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[3-(bromomethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine
PubChem CID104734120
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name4-[3-(bromomethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine
SMILESBrCC1CCN(c2nccn3nccc23)C1
InChIInChI=1S/C11H13BrN4/c12-7-9-2-5-15(8-9)11-10-1-3-14-16(10)6-4-13-11/h1,3-4,6,9H,2,5,7-8H2
InChIKeyKKVLJDSCMKAKOZ-UHFFFAOYSA-N
XLogP1.95
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[3-(bromomethyl)pyrrolidin-1-yl]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

Related Compounds

(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)methanamine
CID 104729923
1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-amine
CID 91811933
3-bromo-2-[3-(bromomethyl)pyrrolidin-1-yl]pyridine
CID 80679963
2-(chloromethyl)-4-pyrazolo[1,5-a]pyrazin-4-ylmorpholine
CID 104734139
1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)ethanone
CID 104730056
1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-3-carboxamide
CID 172899821
4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 166605461
4-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)thiomorpholine
CID 171328024
1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)ethanone
CID 113446199
(1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 165435156
3-[3-(bromomethyl)pyrrolidin-1-yl]-1-propan-2-ylpyrazin-2-one
CID 80679392
N,1-dimethyl-N-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methyl]imidazole-4-carboxamide
CID 172881779

Frequently Asked Questions

What is the IUPAC name of 4-[3-(bromomethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[3-(bromomethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine (CID 104734120) is 4-[3-(bromomethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[3-(bromomethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[3-(bromomethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine is BrCC1CCN(c2nccn3nccc23)C1.
What is the InChIKey of 4-[3-(bromomethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine?
The InChIKey is KKVLJDSCMKAKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c12-7-9-2-5-15(8-9)11-10-1-3-14-16(10)6-4-13-11/h1,3-4,6,9H,2,5,7-8H2.
What are the key properties of 4-[3-(bromomethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine?
4-[3-(bromomethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine has a molecular weight of 281.16 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(bromomethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 104734120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).