2-(2,2-difluoropropoxy)-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone

C18H21F2N3O3 — CID 118065816

IUPAC2-(2,2-difluoropropoxy)-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
SMILESCC(F)(F)COCC(=O)N1CCn2nc(OCc3ccccc3)cc2C1
InChIInChI=1S/C18H21F2N3O3/c1-18(19,20)13-25-12-17(24)22-7-8-23-15(10-22)9-16(21-23)26-11-14-5-3-2-4-6-14/h2-6,9H,7-8,10-13H2,1H3
InChIKeyADVABYWQOIXFOW-UHFFFAOYSA-N
MW365.38 g/mol
LogP2.48
Rot. Bonds7

About 2-(2,2-difluoropropoxy)-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone

2-(2,2-difluoropropoxy)-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone (PubChem CID 118065816) has the molecular formula C18H21F2N3O3 and a molecular weight of 365.38 g/mol. Its IUPAC name is 2-(2,2-difluoropropoxy)-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone.

Molecular Properties

Compound Name2-(2,2-difluoropropoxy)-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
PubChem CID118065816
Molecular FormulaC18H21F2N3O3
Molecular Weight365.38 g/mol
Exact Mass365.16
IUPAC Name2-(2,2-difluoropropoxy)-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
SMILESCC(F)(F)COCC(=O)N1CCn2nc(OCc3ccccc3)cc2C1
InChIInChI=1S/C18H21F2N3O3/c1-18(19,20)13-25-12-17(24)22-7-8-23-15(10-22)9-16(21-23)26-11-14-5-3-2-4-6-14/h2-6,9H,7-8,10-13H2,1H3
InChIKeyADVABYWQOIXFOW-UHFFFAOYSA-N
XLogP2.48
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropropoxy)-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
The IUPAC name of 2-(2,2-difluoropropoxy)-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone (CID 118065816) is 2-(2,2-difluoropropoxy)-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone.
What is the SMILES notation for 2-(2,2-difluoropropoxy)-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
The canonical SMILES for 2-(2,2-difluoropropoxy)-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone is CC(F)(F)COCC(=O)N1CCn2nc(OCc3ccccc3)cc2C1.
What is the InChIKey of 2-(2,2-difluoropropoxy)-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
The InChIKey is ADVABYWQOIXFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O3/c1-18(19,20)13-25-12-17(24)22-7-8-23-15(10-22)9-16(21-23)26-11-14-5-3-2-4-6-14/h2-6,9H,7-8,10-13H2,1H3.
What are the key properties of 2-(2,2-difluoropropoxy)-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
2-(2,2-difluoropropoxy)-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone has a molecular weight of 365.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropoxy)-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone is sourced from PubChem (CID 118065816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).