1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone

C20H15F5N4O — CID 149094310

IUPAC1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone
SMILESO=C(Cc1ccnc(C(F)(F)F)c1)N1CCn2ncc(-c3ccc(F)cc3F)c2C1
InChIInChI=1S/C20H15F5N4O/c21-13-1-2-14(16(22)9-13)15-10-27-29-6-5-28(11-17(15)29)19(30)8-12-3-4-26-18(7-12)20(23,24)25/h1-4,7,9-10H,5-6,8,11H2
InChIKeyQTEZFXRCOIHMOA-UHFFFAOYSA-N
MW422.36 g/mol
LogP3.83
Rot. Bonds3

About 1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone

1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone (PubChem CID 149094310) has the molecular formula C20H15F5N4O and a molecular weight of 422.36 g/mol. Its IUPAC name is 1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone
PubChem CID149094310
Molecular FormulaC20H15F5N4O
Molecular Weight422.36 g/mol
Exact Mass422.12
IUPAC Name1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone
SMILESO=C(Cc1ccnc(C(F)(F)F)c1)N1CCn2ncc(-c3ccc(F)cc3F)c2C1
InChIInChI=1S/C20H15F5N4O/c21-13-1-2-14(16(22)9-13)15-10-27-29-6-5-28(11-17(15)29)19(30)8-12-3-4-26-18(7-12)20(23,24)25/h1-4,7,9-10H,5-6,8,11H2
InChIKeyQTEZFXRCOIHMOA-UHFFFAOYSA-N
XLogP3.83
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone with MolForge

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Related Compounds

2-[3-(difluoromethyl)phenyl]-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 161097085
1-(3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-phenylethanone
CID 158597728
N-phenyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484278
N-(3,4-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484269
3-(4-fluorophenyl)-N-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484513
N-(4-fluorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide
CID 171337884
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one
CID 10200270
2-(3-fluorophenyl)-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 97467485
1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone
CID 158046639
1-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-ylacetyl)piperazin-2-one
CID 90649312
2-[2-oxo-2-[3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 139023048
4-fluoro-2-(trifluoromethyl)pyridine
CID 44891496

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone?
The IUPAC name of 1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone (CID 149094310) is 1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone.
What is the SMILES notation for 1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone?
The canonical SMILES for 1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone is O=C(Cc1ccnc(C(F)(F)F)c1)N1CCn2ncc(-c3ccc(F)cc3F)c2C1.
What is the InChIKey of 1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone?
The InChIKey is QTEZFXRCOIHMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F5N4O/c21-13-1-2-14(16(22)9-13)15-10-27-29-6-5-28(11-17(15)29)19(30)8-12-3-4-26-18(7-12)20(23,24)25/h1-4,7,9-10H,5-6,8,11H2.
What are the key properties of 1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone?
1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone has a molecular weight of 422.36 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone is sourced from PubChem (CID 149094310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).