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

C14H13F2N3O — CID 121018708

IUPAC2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1F)N1CCn2nccc2C1
InChIInChI=1S/C14H13F2N3O/c15-11-2-1-10(13(16)8-11)7-14(20)18-5-6-19-12(9-18)3-4-17-19/h1-4,8H,5-7,9H2
InChIKeySJRLVTFAOOFGBP-UHFFFAOYSA-N
MW277.27 g/mol
LogP1.75
Rot. Bonds2

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

2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone (PubChem CID 121018708) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
PubChem CID121018708
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1F)N1CCn2nccc2C1
InChIInChI=1S/C14H13F2N3O/c15-11-2-1-10(13(16)8-11)7-14(20)18-5-6-19-12(9-18)3-4-17-19/h1-4,8H,5-7,9H2
InChIKeySJRLVTFAOOFGBP-UHFFFAOYSA-N
XLogP1.75
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-methyl-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645919
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-methyl-3-(trifluoromethyl)-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645920
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645921
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645922
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645926
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-methyl-3-(1,1,2,2,2-pentafluoroethyl)-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645927
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(4-fluorophenyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645929
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(4-fluorophenyl)-2-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645930
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-methyl-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]butan-1-one
CID 23645933
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-methyl-3-(trifluoromethyl)-2H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]butan-1-one
CID 23645935
[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
CID 57400053
2-(1,3-Diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone
CID 4799063

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone (CID 121018708) is 2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone is O=C(Cc1ccc(F)cc1F)N1CCn2nccc2C1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
The InChIKey is SJRLVTFAOOFGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c15-11-2-1-10(13(16)8-11)7-14(20)18-5-6-19-12(9-18)3-4-17-19/h1-4,8H,5-7,9H2.
What are the key properties of 2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone has a molecular weight of 277.27 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone is sourced from PubChem (CID 121018708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).