2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C10H17N3 — CID 59229752

IUPAC2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCC(C)(C)c1cc2n(n1)CCNC2
InChIInChI=1S/C10H17N3/c1-10(2,3)9-6-8-7-11-4-5-13(8)12-9/h6,11H,4-5,7H2,1-3H3
InChIKeyLOYQOHGGHGVONM-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.28
Rot. Bonds

About 2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 59229752) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID59229752
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCC(C)(C)c1cc2n(n1)CCNC2
InChIInChI=1S/C10H17N3/c1-10(2,3)9-6-8-7-11-4-5-13(8)12-9/h6,11H,4-5,7H2,1-3H3
InChIKeyLOYQOHGGHGVONM-UHFFFAOYSA-N
XLogP1.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 59229752) is 2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is CC(C)(C)c1cc2n(n1)CCNC2.
What is the InChIKey of 2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is LOYQOHGGHGVONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(2,3)9-6-8-7-11-4-5-13(8)12-9/h6,11H,4-5,7H2,1-3H3.
What are the key properties of 2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 179.27 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 59229752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).