N-(2-bromoethyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

C11H15BrN4 — CID 104734038

IUPACN-(2-bromoethyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)N(CCBr)c1nccn2nccc12
InChIInChI=1S/C11H15BrN4/c1-9(2)15(7-4-12)11-10-3-5-14-16(10)8-6-13-11/h3,5-6,8-9H,4,7H2,1-2H3
InChIKeyOQVYRWGYXMTDGA-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.34
Rot. Bonds4

About N-(2-bromoethyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

N-(2-bromoethyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104734038) has the molecular formula C11H15BrN4 and a molecular weight of 283.17 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104734038
Molecular FormulaC11H15BrN4
Molecular Weight283.17 g/mol
Exact Mass282.05
IUPAC NameN-(2-bromoethyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)N(CCBr)c1nccn2nccc12
InChIInChI=1S/C11H15BrN4/c1-9(2)15(7-4-12)11-10-3-5-14-16(10)8-6-13-11/h3,5-6,8-9H,4,7H2,1-2H3
InChIKeyOQVYRWGYXMTDGA-UHFFFAOYSA-N
XLogP2.34
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.34
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

N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104733810
N-(2-bromoethyl)-3-chloro-N-propan-2-ylpyridin-2-amine
CID 80670684
N-(3-bromopropyl)-N-cyclobutylpyrazolo[1,5-a]pyrazin-4-amine
CID 102871209
N'-ethyl-N-propan-2-yl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine
CID 104733684
ethane;4-methylpyrazolo[1,5-a]pyrazine
CID 145108173
N-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 171691640
5-bromo-N-(2-bromoethyl)-N-propan-2-ylisoquinolin-1-amine
CID 106542837
N'-ethyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine
CID 104729830
N'-hydroxy-3-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]propanimidamide
CID 104730261
4-(1-chloropropan-2-ylsulfonyl)pyrazolo[1,5-a]pyrazine
CID 104732304
N-[(4-aminophenyl)methyl]-N-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104732904
N-(2-bromoethyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104734078

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(2-bromoethyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (CID 104734038) is N-(2-bromoethyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(2-bromoethyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is CC(C)N(CCBr)c1nccn2nccc12.
What is the InChIKey of N-(2-bromoethyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is OQVYRWGYXMTDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4/c1-9(2)15(7-4-12)11-10-3-5-14-16(10)8-6-13-11/h3,5-6,8-9H,4,7H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
N-(2-bromoethyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 283.17 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104734038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).