N-(3-chlorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine

C10H11ClN4 — CID 104734003

IUPACN-(3-chlorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESClC1CC(Nc2nccn3nccc23)C1
InChIInChI=1S/C10H11ClN4/c11-7-5-8(6-7)14-10-9-1-2-13-15(9)4-3-12-10/h1-4,7-8H,5-6H2,(H,12,14)
InChIKeyUKKUNUOVKVTBGI-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.91
Rot. Bonds2

About N-(3-chlorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine

N-(3-chlorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104734003) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is N-(3-chlorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(3-chlorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104734003
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC NameN-(3-chlorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESClC1CC(Nc2nccn3nccc23)C1
InChIInChI=1S/C10H11ClN4/c11-7-5-8(6-7)14-10-9-1-2-13-15(9)4-3-12-10/h1-4,7-8H,5-6H2,(H,12,14)
InChIKeyUKKUNUOVKVTBGI-UHFFFAOYSA-N
XLogP1.91
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104734005
N-(azepan-4-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 107173671
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731945
N-(2,2,3,3-tetramethylcyclopropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446388
2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126934365
N-(2,3-dimethylcyclopentyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731674
N-(1-cyclopentylethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446364
6-methyl-2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126934706
N-(2-chloro-2-cyclopropylethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733985
N-piperidin-1-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104732016
1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclobutane-1,3-diamine
CID 104732329
N-(2-bicyclo[2.2.1]heptanylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731485

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(3-chlorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104734003) is N-(3-chlorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(3-chlorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(3-chlorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine is ClC1CC(Nc2nccn3nccc23)C1.
What is the InChIKey of N-(3-chlorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is UKKUNUOVKVTBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c11-7-5-8(6-7)14-10-9-1-2-13-15(9)4-3-12-10/h1-4,7-8H,5-6H2,(H,12,14).
What are the key properties of N-(3-chlorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(3-chlorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 222.68 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104734003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).