2,3-ditert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C15H27N3 — CID 164761854

IUPAC2,3-ditert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCN1CCn2nc(C(C)(C)C)c(C(C)(C)C)c2C1
InChIInChI=1S/C15H27N3/c1-14(2,3)12-11-10-17(7)8-9-18(11)16-13(12)15(4,5)6/h8-10H2,1-7H3
InChIKeyJOMNSIBIJNLAKQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.92
Rot. Bonds

About 2,3-ditert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

2,3-ditert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 164761854) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2,3-ditert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2,3-ditert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID164761854
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2,3-ditert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCN1CCn2nc(C(C)(C)C)c(C(C)(C)C)c2C1
InChIInChI=1S/C15H27N3/c1-14(2,3)12-11-10-17(7)8-9-18(11)16-13(12)15(4,5)6/h8-10H2,1-7H3
InChIKeyJOMNSIBIJNLAKQ-UHFFFAOYSA-N
XLogP2.92
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2,3-ditert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 164761854) is 2,3-ditert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2,3-ditert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2,3-ditert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is CN1CCn2nc(C(C)(C)C)c(C(C)(C)C)c2C1.
What is the InChIKey of 2,3-ditert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is JOMNSIBIJNLAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-14(2,3)12-11-10-17(7)8-9-18(11)16-13(12)15(4,5)6/h8-10H2,1-7H3.
What are the key properties of 2,3-ditert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
2,3-ditert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 249.40 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 164761854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).