7-(4-methoxyphenyl)-6-(2,2,2-trifluoroacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one

C15H13F3N2O3 — CID 53387537

IUPAC7-(4-methoxyphenyl)-6-(2,2,2-trifluoroacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one
SMILESCOc1ccc(C2C(C(=O)C(F)(F)F)=CN3C(=O)CCN23)cc1
InChIInChI=1S/C15H13F3N2O3/c1-23-10-4-2-9(3-5-10)13-11(14(22)15(16,17)18)8-20-12(21)6-7-19(13)20/h2-5,8,13H,6-7H2,1H3
InChIKeyWDXBLPRXAZZZPX-UHFFFAOYSA-N
MW326.27 g/mol
LogP2.21
Rot. Bonds3

About 7-(4-methoxyphenyl)-6-(2,2,2-trifluoroacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one

7-(4-methoxyphenyl)-6-(2,2,2-trifluoroacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one (PubChem CID 53387537) has the molecular formula C15H13F3N2O3 and a molecular weight of 326.27 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-6-(2,2,2-trifluoroacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-6-(2,2,2-trifluoroacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one
PubChem CID53387537
Molecular FormulaC15H13F3N2O3
Molecular Weight326.27 g/mol
Exact Mass326.09
IUPAC Name7-(4-methoxyphenyl)-6-(2,2,2-trifluoroacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one
SMILESCOc1ccc(C2C(C(=O)C(F)(F)F)=CN3C(=O)CCN23)cc1
InChIInChI=1S/C15H13F3N2O3/c1-23-10-4-2-9(3-5-10)13-11(14(22)15(16,17)18)8-20-12(21)6-7-19(13)20/h2-5,8,13H,6-7H2,1H3
InChIKeyWDXBLPRXAZZZPX-UHFFFAOYSA-N
XLogP2.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Methoxyphenyl)-1-methyl-3-methylidenepyrrolidin-2-one
CID 44585324
5,5-Dimethyl-1-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]pyrazolidin-3-one
CID 135055124
ethyl (7R)-7-(4-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate
CID 132255165
1-Acetyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-one
CID 58915264
1-Acetyl-5-[4-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 58915290
2,2,2-Trifluoro-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 62491792
1,2-Dihydro-1-(1-methylethyl)-4-[(2-fluor-4-methoxyphenyl)-(1-pyrrolidino)methyl]-5-methyl-3h-pyrazol-3-one
CID 69107057
4,4-Dimethyl-1-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]pyrazolidin-3-one
CID 140179351
1-[2,2,2-Trifluoro-1-(4-methoxyphenyl)ethyl]pyrazolidin-3-one
CID 140179819
4,4-dimethyl-1-[(1S)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]pyrazolidin-3-one
CID 140181143
1-[(1S)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]pyrazolidin-3-one
CID 140182206
5,5-dimethyl-1-[(1S)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]pyrazolidin-3-one
CID 140182508

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-6-(2,2,2-trifluoroacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one?
The IUPAC name of 7-(4-methoxyphenyl)-6-(2,2,2-trifluoroacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one (CID 53387537) is 7-(4-methoxyphenyl)-6-(2,2,2-trifluoroacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one.
What is the SMILES notation for 7-(4-methoxyphenyl)-6-(2,2,2-trifluoroacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one?
The canonical SMILES for 7-(4-methoxyphenyl)-6-(2,2,2-trifluoroacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one is COc1ccc(C2C(C(=O)C(F)(F)F)=CN3C(=O)CCN23)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-6-(2,2,2-trifluoroacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one?
The InChIKey is WDXBLPRXAZZZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3/c1-23-10-4-2-9(3-5-10)13-11(14(22)15(16,17)18)8-20-12(21)6-7-19(13)20/h2-5,8,13H,6-7H2,1H3.
What are the key properties of 7-(4-methoxyphenyl)-6-(2,2,2-trifluoroacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one?
7-(4-methoxyphenyl)-6-(2,2,2-trifluoroacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one has a molecular weight of 326.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-6-(2,2,2-trifluoroacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one is sourced from PubChem (CID 53387537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).