2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine

C14H22N4 — CID 104730378

IUPAC2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)CNc1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C14H22N4/c1-10(2)9-16-13-11-8-12(14(3,4)5)17-18(11)7-6-15-13/h6-8,10H,9H2,1-5H3,(H,15,16)
InChIKeyOMKDSRXAZKUMDX-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.09
Rot. Bonds3

About 2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine

2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104730378) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104730378
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)CNc1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C14H22N4/c1-10(2)9-16-13-11-8-12(14(3,4)5)17-18(11)7-6-15-13/h6-8,10H,9H2,1-5H3,(H,15,16)
InChIKeyOMKDSRXAZKUMDX-UHFFFAOYSA-N
XLogP3.09
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104730378) is 2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine is CC(C)CNc1nccn2nc(C(C)(C)C)cc12.
What is the InChIKey of 2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is OMKDSRXAZKUMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10(2)9-16-13-11-8-12(14(3,4)5)17-18(11)7-6-15-13/h6-8,10H,9H2,1-5H3,(H,15,16).
What are the key properties of 2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine?
2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 246.36 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104730378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).