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

C12H21N3 — CID 122646722

IUPAC2-tert-butyl-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCCN1CCn2nc(C(C)(C)C)cc2C1
InChIInChI=1S/C12H21N3/c1-5-14-6-7-15-10(9-14)8-11(13-15)12(2,3)4/h8H,5-7,9H2,1-4H3
InChIKeyUAZYLQPZHPXCAP-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.02
Rot. Bonds1

About 2-tert-butyl-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

2-tert-butyl-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 122646722) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-tert-butyl-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-tert-butyl-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID122646722
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-tert-butyl-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCCN1CCn2nc(C(C)(C)C)cc2C1
InChIInChI=1S/C12H21N3/c1-5-14-6-7-15-10(9-14)8-11(13-15)12(2,3)4/h8H,5-7,9H2,1-4H3
InChIKeyUAZYLQPZHPXCAP-UHFFFAOYSA-N
XLogP2.02
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-tert-butyl-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 122646722) is 2-tert-butyl-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-tert-butyl-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-tert-butyl-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is CCN1CCn2nc(C(C)(C)C)cc2C1.
What is the InChIKey of 2-tert-butyl-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is UAZYLQPZHPXCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-14-6-7-15-10(9-14)8-11(13-15)12(2,3)4/h8H,5-7,9H2,1-4H3.
What are the key properties of 2-tert-butyl-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
2-tert-butyl-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 207.32 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 122646722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).