N-(3-bromopropyl)-N-cyclobutylpyrazolo[1,5-a]pyrazin-4-amine

C13H17BrN4 — CID 102871209

IUPACN-(3-bromopropyl)-N-cyclobutylpyrazolo[1,5-a]pyrazin-4-amine
SMILESBrCCCN(c1nccn2nccc12)C1CCC1
InChIInChI=1S/C13H17BrN4/c14-6-2-9-17(11-3-1-4-11)13-12-5-7-16-18(12)10-8-15-13/h5,7-8,10-11H,1-4,6,9H2
InChIKeyLKQVWJTXEFMISC-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.87
Rot. Bonds5

About N-(3-bromopropyl)-N-cyclobutylpyrazolo[1,5-a]pyrazin-4-amine

N-(3-bromopropyl)-N-cyclobutylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 102871209) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID102871209
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC NameN-(3-bromopropyl)-N-cyclobutylpyrazolo[1,5-a]pyrazin-4-amine
SMILESBrCCCN(c1nccn2nccc12)C1CCC1
InChIInChI=1S/C13H17BrN4/c14-6-2-9-17(11-3-1-4-11)13-12-5-7-16-18(12)10-8-15-13/h5,7-8,10-11H,1-4,6,9H2
InChIKeyLKQVWJTXEFMISC-UHFFFAOYSA-N
XLogP2.87
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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

N'-cycloheptyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine
CID 104729848
2-[cyclopentyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]ethanol
CID 104733071
N'-cyclopropyl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine
CID 104734227
N-cyclopropyl-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104732739
N-(2-bromoethyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104734038
ethyl 2-[cyclopropyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
CID 104733396
4-[2-(3-bromopropyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine
CID 113446660
N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridin-2-amine
CID 80669537
N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-2-amine
CID 80668380
N-(2-bromoethyl)-N-cyclobutylimidazo[1,2-a]pyridin-5-amine
CID 102871570
N-(2-chloroethyl)-N-cyclohexyl-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104733822
N-(2-bromoethyl)-N-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 102871523

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-cyclobutylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutylpyrazolo[1,5-a]pyrazin-4-amine (CID 102871209) is N-(3-bromopropyl)-N-cyclobutylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutylpyrazolo[1,5-a]pyrazin-4-amine is BrCCCN(c1nccn2nccc12)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is LKQVWJTXEFMISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c14-6-2-9-17(11-3-1-4-11)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 N-(3-bromopropyl)-N-cyclobutylpyrazolo[1,5-a]pyrazin-4-amine?
N-(3-bromopropyl)-N-cyclobutylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 309.21 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-cyclobutylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 102871209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).