5-(oxetan-3-yl)-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C12H19N3O — CID 58043792

IUPAC5-(oxetan-3-yl)-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCC(C)c1cc2n(n1)CCN(C1COC1)C2
InChIInChI=1S/C12H19N3O/c1-9(2)12-5-10-6-14(11-7-16-8-11)3-4-15(10)13-12/h5,9,11H,3-4,6-8H2,1-2H3
InChIKeyXHIDYPPGEIZZQF-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.22
Rot. Bonds2

About 5-(oxetan-3-yl)-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

5-(oxetan-3-yl)-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 58043792) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-(oxetan-3-yl)-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-(oxetan-3-yl)-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID58043792
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-(oxetan-3-yl)-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCC(C)c1cc2n(n1)CCN(C1COC1)C2
InChIInChI=1S/C12H19N3O/c1-9(2)12-5-10-6-14(11-7-16-8-11)3-4-15(10)13-12/h5,9,11H,3-4,6-8H2,1-2H3
InChIKeyXHIDYPPGEIZZQF-UHFFFAOYSA-N
XLogP1.22
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(oxetan-3-yl)-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 5-(oxetan-3-yl)-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 58043792) is 5-(oxetan-3-yl)-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-(oxetan-3-yl)-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-(oxetan-3-yl)-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is CC(C)c1cc2n(n1)CCN(C1COC1)C2.
What is the InChIKey of 5-(oxetan-3-yl)-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is XHIDYPPGEIZZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)12-5-10-6-14(11-7-16-8-11)3-4-15(10)13-12/h5,9,11H,3-4,6-8H2,1-2H3.
What are the key properties of 5-(oxetan-3-yl)-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
5-(oxetan-3-yl)-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 221.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxetan-3-yl)-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 58043792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).