5-(oxetan-3-yl)-3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole

C11H17N3O — CID 118489323

IUPAC5-(oxetan-3-yl)-3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
SMILESCC(C)c1n[nH]c2c1CN(C1COC1)C2
InChIInChI=1S/C11H17N3O/c1-7(2)11-9-3-14(8-5-15-6-8)4-10(9)12-13-11/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyNJHSNWDKIHEOFM-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.25
Rot. Bonds2

About 5-(oxetan-3-yl)-3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole

5-(oxetan-3-yl)-3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole (PubChem CID 118489323) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-(oxetan-3-yl)-3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name5-(oxetan-3-yl)-3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
PubChem CID118489323
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-(oxetan-3-yl)-3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
SMILESCC(C)c1n[nH]c2c1CN(C1COC1)C2
InChIInChI=1S/C11H17N3O/c1-7(2)11-9-3-14(8-5-15-6-8)4-10(9)12-13-11/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyNJHSNWDKIHEOFM-UHFFFAOYSA-N
XLogP1.25
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(oxetan-3-yl)-3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The IUPAC name of 5-(oxetan-3-yl)-3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole (CID 118489323) is 5-(oxetan-3-yl)-3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 5-(oxetan-3-yl)-3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The canonical SMILES for 5-(oxetan-3-yl)-3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole is CC(C)c1n[nH]c2c1CN(C1COC1)C2.
What is the InChIKey of 5-(oxetan-3-yl)-3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The InChIKey is NJHSNWDKIHEOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(2)11-9-3-14(8-5-15-6-8)4-10(9)12-13-11/h7-8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 5-(oxetan-3-yl)-3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
5-(oxetan-3-yl)-3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole has a molecular weight of 207.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxetan-3-yl)-3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 118489323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).