N-(3-chlorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine

C11H13ClN4 — CID 104734005

IUPACN-(3-chlorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NC3CC(Cl)C3)nccn2n1
InChIInChI=1S/C11H13ClN4/c1-7-4-10-11(13-2-3-16(10)15-7)14-9-5-8(12)6-9/h2-4,8-9H,5-6H2,1H3,(H,13,14)
InChIKeyOBYNZHZPJBOOED-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.22
Rot. Bonds2

About N-(3-chlorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine

N-(3-chlorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104734005) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is N-(3-chlorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(3-chlorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104734005
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC NameN-(3-chlorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NC3CC(Cl)C3)nccn2n1
InChIInChI=1S/C11H13ClN4/c1-7-4-10-11(13-2-3-16(10)15-7)14-9-5-8(12)6-9/h2-4,8-9H,5-6H2,1H3,(H,13,14)
InChIKeyOBYNZHZPJBOOED-UHFFFAOYSA-N
XLogP2.22
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(3-chlorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine (CID 104734005) is N-(3-chlorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(3-chlorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(3-chlorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine is Cc1cc2c(NC3CC(Cl)C3)nccn2n1.
What is the InChIKey of N-(3-chlorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is OBYNZHZPJBOOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-7-4-10-11(13-2-3-16(10)15-7)14-9-5-8(12)6-9/h2-4,8-9H,5-6H2,1H3,(H,13,14).
What are the key properties of N-(3-chlorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
N-(3-chlorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 236.71 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104734005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).