tert-butyl 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C11H17N3O2 — CID 58440750

IUPACtert-butyl 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2nccc2C1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)13-6-7-14-9(8-13)4-5-12-14/h4-5H,6-8H2,1-3H3
InChIKeyDVXJIVBUWXAWHA-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.63
Rot. Bonds

About tert-butyl 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

tert-butyl 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 58440750) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is tert-butyl 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID58440750
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nametert-butyl 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2nccc2C1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)13-6-7-14-9(8-13)4-5-12-14/h4-5H,6-8H2,1-3H3
InChIKeyDVXJIVBUWXAWHA-UHFFFAOYSA-N
XLogP1.63
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 58440750) is tert-butyl 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is CC(C)(C)OC(=O)N1CCn2nccc2C1.
What is the InChIKey of tert-butyl 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is DVXJIVBUWXAWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)13-6-7-14-9(8-13)4-5-12-14/h4-5H,6-8H2,1-3H3.
What are the key properties of tert-butyl 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
tert-butyl 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 58440750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).