N-(3-chlorobutyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

C13H19ClN4 — CID 113446632

IUPACN-(3-chlorobutyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(Cl)CCNc1nccn2nc(C(C)C)cc12
InChIInChI=1S/C13H19ClN4/c1-9(2)11-8-12-13(15-5-4-10(3)14)16-6-7-18(12)17-11/h6-10H,4-5H2,1-3H3,(H,15,16)
InChIKeyALVBNBVGUAFZRA-UHFFFAOYSA-N
MW266.78 g/mol
LogP3.28
Rot. Bonds5

About N-(3-chlorobutyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

N-(3-chlorobutyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 113446632) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is N-(3-chlorobutyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(3-chlorobutyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID113446632
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC NameN-(3-chlorobutyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(Cl)CCNc1nccn2nc(C(C)C)cc12
InChIInChI=1S/C13H19ClN4/c1-9(2)11-8-12-13(15-5-4-10(3)14)16-6-7-18(12)17-11/h6-10H,4-5H2,1-3H3,(H,15,16)
InChIKeyALVBNBVGUAFZRA-UHFFFAOYSA-N
XLogP3.28
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 53.28
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-chlorobutyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(3-chlorobutyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (CID 113446632) is N-(3-chlorobutyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(3-chlorobutyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(3-chlorobutyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is CC(Cl)CCNc1nccn2nc(C(C)C)cc12.
What is the InChIKey of N-(3-chlorobutyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is ALVBNBVGUAFZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4/c1-9(2)11-8-12-13(15-5-4-10(3)14)16-6-7-18(12)17-11/h6-10H,4-5H2,1-3H3,(H,15,16).
What are the key properties of N-(3-chlorobutyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
N-(3-chlorobutyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 266.78 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorobutyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 113446632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).