tert-butyl pyrazolo[1,5-a]pyrazine-3-carboxylate

C11H13N3O2 — CID 103120068

IUPACtert-butyl pyrazolo[1,5-a]pyrazine-3-carboxylate
SMILESCC(C)(C)OC(=O)c1cnn2ccncc12
InChIInChI=1S/C11H13N3O2/c1-11(2,3)16-10(15)8-6-13-14-5-4-12-7-9(8)14/h4-7H,1-3H3
InChIKeyYIJKBAZZFDFWEM-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.68
Rot. Bonds1

About tert-butyl pyrazolo[1,5-a]pyrazine-3-carboxylate

tert-butyl pyrazolo[1,5-a]pyrazine-3-carboxylate (PubChem CID 103120068) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is tert-butyl pyrazolo[1,5-a]pyrazine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl pyrazolo[1,5-a]pyrazine-3-carboxylate
PubChem CID103120068
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Nametert-butyl pyrazolo[1,5-a]pyrazine-3-carboxylate
SMILESCC(C)(C)OC(=O)c1cnn2ccncc12
InChIInChI=1S/C11H13N3O2/c1-11(2,3)16-10(15)8-6-13-14-5-4-12-7-9(8)14/h4-7H,1-3H3
InChIKeyYIJKBAZZFDFWEM-UHFFFAOYSA-N
XLogP1.68
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl pyrazolo[1,5-a]pyrazine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-one
CID 103123919
1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one
CID 103123927
N-(1-bromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122666
N-(1,3-dibromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122794
(3,5-dimethoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103124988
(4-methyl-3-pyridinyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103124905
pyrazolo[1,5-a]pyrazin-3-yl(pyrrolidin-1-yl)methanone
CID 103120002
pyrazolo[1,5-a]pyrazine-3-carbonyl isocyanate
CID 103513084
N-(1-amino-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106164842
3,5-dimethyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one
CID 103119390
N-(2-hydroxy-4,4-dimethylpentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 107155250

Frequently Asked Questions

What is the IUPAC name of tert-butyl pyrazolo[1,5-a]pyrazine-3-carboxylate?
The IUPAC name of tert-butyl pyrazolo[1,5-a]pyrazine-3-carboxylate (CID 103120068) is tert-butyl pyrazolo[1,5-a]pyrazine-3-carboxylate.
What is the SMILES notation for tert-butyl pyrazolo[1,5-a]pyrazine-3-carboxylate?
The canonical SMILES for tert-butyl pyrazolo[1,5-a]pyrazine-3-carboxylate is CC(C)(C)OC(=O)c1cnn2ccncc12.
What is the InChIKey of tert-butyl pyrazolo[1,5-a]pyrazine-3-carboxylate?
The InChIKey is YIJKBAZZFDFWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-11(2,3)16-10(15)8-6-13-14-5-4-12-7-9(8)14/h4-7H,1-3H3.
What are the key properties of tert-butyl pyrazolo[1,5-a]pyrazine-3-carboxylate?
tert-butyl pyrazolo[1,5-a]pyrazine-3-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl pyrazolo[1,5-a]pyrazine-3-carboxylate is sourced from PubChem (CID 103120068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).