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

C16H25N5 — CID 106026820

IUPAC2-tert-butyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESCN1CCCC1CNc1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C16H25N5/c1-16(2,3)14-10-13-15(17-7-9-21(13)19-14)18-11-12-6-5-8-20(12)4/h7,9-10,12H,5-6,8,11H2,1-4H3,(H,17,18)
InChIKeyDZCDWHCHJMVLKW-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.53
Rot. Bonds3

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

2-tert-butyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 106026820) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-tert-butyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID106026820
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name2-tert-butyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESCN1CCCC1CNc1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C16H25N5/c1-16(2,3)14-10-13-15(17-7-9-21(13)19-14)18-11-12-6-5-8-20(12)4/h7,9-10,12H,5-6,8,11H2,1-4H3,(H,17,18)
InChIKeyDZCDWHCHJMVLKW-UHFFFAOYSA-N
XLogP2.53
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine with MolForge

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Related Compounds

2-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104732422
3-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106127769
2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730378
1-methyl-3-[(1-methylpyrrolidin-2-yl)methylamino]pyrazin-2-one
CID 103702752
2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733907
2-tert-butyl-N-(2-methylcyclopentyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731441
2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446406
2-tert-butyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731973
trans-(1R,2R)-2-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,2-diamine
CID 102738846
N-(azepan-3-yl)-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine
CID 104732568
2-tert-butyl-N-(2,2-dimethylcyclopentyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731855
2-tert-butyl-N-(3-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106329795

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-tert-butyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine (CID 106026820) is 2-tert-butyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-tert-butyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine is CN1CCCC1CNc1nccn2nc(C(C)(C)C)cc12.
What is the InChIKey of 2-tert-butyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is DZCDWHCHJMVLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-16(2,3)14-10-13-15(17-7-9-21(13)19-14)18-11-12-6-5-8-20(12)4/h7,9-10,12H,5-6,8,11H2,1-4H3,(H,17,18).
What are the key properties of 2-tert-butyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
2-tert-butyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 287.41 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 106026820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).