3-(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one

C18H30N4O2 — CID 72899356

IUPAC3-(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESCCCCN1CCn2nc(CCC(=O)N3CCC(O)CC3)cc2C1
InChIInChI=1S/C18H30N4O2/c1-2-3-8-20-11-12-22-16(14-20)13-15(19-22)4-5-18(24)21-9-6-17(23)7-10-21/h13,17,23H,2-12,14H2,1H3
InChIKeyUUEYOBMPGADPLS-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.41
Rot. Bonds6

About 3-(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one

3-(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 72899356) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
PubChem CID72899356
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name3-(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESCCCCN1CCn2nc(CCC(=O)N3CCC(O)CC3)cc2C1
InChIInChI=1S/C18H30N4O2/c1-2-3-8-20-11-12-22-16(14-20)13-15(19-22)4-5-18(24)21-9-6-17(23)7-10-21/h13,17,23H,2-12,14H2,1H3
InChIKeyUUEYOBMPGADPLS-UHFFFAOYSA-N
XLogP1.41
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one (CID 72899356) is 3-(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one is CCCCN1CCn2nc(CCC(=O)N3CCC(O)CC3)cc2C1.
What is the InChIKey of 3-(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is UUEYOBMPGADPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-2-3-8-20-11-12-22-16(14-20)13-15(19-22)4-5-18(24)21-9-6-17(23)7-10-21/h13,17,23H,2-12,14H2,1H3.
What are the key properties of 3-(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
3-(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one has a molecular weight of 334.46 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 72899356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).