[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(oxan-4-yl)methanone

C15H23N3O3 — CID 90651674

IUPAC[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(oxan-4-yl)methanone
SMILESCCC(O)c1cc2n(n1)CCN(C(=O)C1CCOCC1)C2
InChIInChI=1S/C15H23N3O3/c1-2-14(19)13-9-12-10-17(5-6-18(12)16-13)15(20)11-3-7-21-8-4-11/h9,11,14,19H,2-8,10H2,1H3
InChIKeyBPISNEJUGPHEHG-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.10
Rot. Bonds3

About [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(oxan-4-yl)methanone

[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(oxan-4-yl)methanone (PubChem CID 90651674) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(oxan-4-yl)methanone
PubChem CID90651674
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(oxan-4-yl)methanone
SMILESCCC(O)c1cc2n(n1)CCN(C(=O)C1CCOCC1)C2
InChIInChI=1S/C15H23N3O3/c1-2-14(19)13-9-12-10-17(5-6-18(12)16-13)15(20)11-3-7-21-8-4-11/h9,11,14,19H,2-8,10H2,1H3
InChIKeyBPISNEJUGPHEHG-UHFFFAOYSA-N
XLogP1.10
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(oxan-4-yl)methanone?
The IUPAC name of [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(oxan-4-yl)methanone (CID 90651674) is [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(oxan-4-yl)methanone is CCC(O)c1cc2n(n1)CCN(C(=O)C1CCOCC1)C2.
What is the InChIKey of [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(oxan-4-yl)methanone?
The InChIKey is BPISNEJUGPHEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-14(19)13-9-12-10-17(5-6-18(12)16-13)15(20)11-3-7-21-8-4-11/h9,11,14,19H,2-8,10H2,1H3.
What are the key properties of [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(oxan-4-yl)methanone?
[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(oxan-4-yl)methanone has a molecular weight of 293.37 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 90651674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).