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

C17H26N4 — CID 104731855

IUPAC2-tert-butyl-N-(2,2-dimethylcyclopentyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)(C)c1cc2c(NC3CCCC3(C)C)nccn2n1
InChIInChI=1S/C17H26N4/c1-16(2,3)14-11-12-15(18-9-10-21(12)20-14)19-13-7-6-8-17(13,4)5/h9-11,13H,6-8H2,1-5H3,(H,18,19)
InChIKeyDOEKIYWDVAOQQX-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.02
Rot. Bonds2

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

2-tert-butyl-N-(2,2-dimethylcyclopentyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104731855) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-tert-butyl-N-(2,2-dimethylcyclopentyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(2,2-dimethylcyclopentyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104731855
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-tert-butyl-N-(2,2-dimethylcyclopentyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)(C)c1cc2c(NC3CCCC3(C)C)nccn2n1
InChIInChI=1S/C17H26N4/c1-16(2,3)14-11-12-15(18-9-10-21(12)20-14)19-13-7-6-8-17(13,4)5/h9-11,13H,6-8H2,1-5H3,(H,18,19)
InChIKeyDOEKIYWDVAOQQX-UHFFFAOYSA-N
XLogP4.02
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.02
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-(2,2-dimethylcyclopentyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-tert-butyl-N-(2,2-dimethylcyclopentyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104731855) is 2-tert-butyl-N-(2,2-dimethylcyclopentyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(2,2-dimethylcyclopentyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(2,2-dimethylcyclopentyl)pyrazolo[1,5-a]pyrazin-4-amine is CC(C)(C)c1cc2c(NC3CCCC3(C)C)nccn2n1.
What is the InChIKey of 2-tert-butyl-N-(2,2-dimethylcyclopentyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is DOEKIYWDVAOQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-16(2,3)14-11-12-15(18-9-10-21(12)20-14)19-13-7-6-8-17(13,4)5/h9-11,13H,6-8H2,1-5H3,(H,18,19).
What are the key properties of 2-tert-butyl-N-(2,2-dimethylcyclopentyl)pyrazolo[1,5-a]pyrazin-4-amine?
2-tert-butyl-N-(2,2-dimethylcyclopentyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 286.42 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2,2-dimethylcyclopentyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104731855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).