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

C16H15F3N2O3 — CID 53387855

IUPAC7-(4-methoxyphenyl)-2-methyl-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)C(C)CN23)cc1
InChIInChI=1S/C16H15F3N2O3/c1-9-7-20-13(10-3-5-11(24-2)6-4-10)12(8-21(20)15(9)23)14(22)16(17,18)19/h3-6,8-9,13H,7H2,1-2H3
InChIKeyTTXOFOIOHCQCBN-UHFFFAOYSA-N
MW340.30 g/mol
LogP2.46
Rot. Bonds3

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

7-(4-methoxyphenyl)-2-methyl-6-(2,2,2-trifluoroacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one (PubChem CID 53387855) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-2-methyl-6-(2,2,2-trifluoroacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-2-methyl-6-(2,2,2-trifluoroacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one
PubChem CID53387855
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Name7-(4-methoxyphenyl)-2-methyl-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)C(C)CN23)cc1
InChIInChI=1S/C16H15F3N2O3/c1-9-7-20-13(10-3-5-11(24-2)6-4-10)12(8-21(20)15(9)23)14(22)16(17,18)19/h3-6,8-9,13H,7H2,1-2H3
InChIKeyTTXOFOIOHCQCBN-UHFFFAOYSA-N
XLogP2.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 52.46
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
ethyl (7R)-7-(4-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate
CID 132255165
1-Acetyl-5-[4-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 58915290
1,2-Dihydro-1-(1-methylethyl)-4-[(2-fluor-4-methoxyphenyl)-(1-pyrrolidino)methyl]-5-methyl-3h-pyrazol-3-one
CID 69107057
4-Acetyl-1-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-5-(4-(trifluoromethoxy)-phenyl)pyrrolidine-2,3-dione
CID 117702592
1-[2,2,2-Trifluoro-1-(4-methoxyphenyl)ethyl]pyrazolidin-3-one
CID 140179819
1-[(1S)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]pyrazolidin-3-one
CID 140182206
Ethyl 5-(4-methoxyphenyl)-2,3-dihydro-1h,5h-pyrazolo[1,2-a]pyrazole-6-carboxylate
CID 12084032
(E)-3-[1-benzyl-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-5-yl]-N,N-dimethylprop-2-enamide
CID 56649723
(1R,7S,8S)-7-(4-methoxyphenyl)-2,6-diazatricyclo[6.5.0.02,6]tridecane-3,9-dione
CID 101438905
(2R,6S,7S)-7-(4-methoxyphenyl)-1,8-diazatricyclo[6.3.0.02,6]undecane-5,11-dione
CID 101438907
ethyl 7-(4-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate
CID 101793277

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-2-methyl-6-(2,2,2-trifluoroacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one?
The IUPAC name of 7-(4-methoxyphenyl)-2-methyl-6-(2,2,2-trifluoroacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one (CID 53387855) is 7-(4-methoxyphenyl)-2-methyl-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)-2-methyl-6-(2,2,2-trifluoroacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one?
The canonical SMILES for 7-(4-methoxyphenyl)-2-methyl-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)C(C)CN23)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-2-methyl-6-(2,2,2-trifluoroacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one?
The InChIKey is TTXOFOIOHCQCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-9-7-20-13(10-3-5-11(24-2)6-4-10)12(8-21(20)15(9)23)14(22)16(17,18)19/h3-6,8-9,13H,7H2,1-2H3.
What are the key properties of 7-(4-methoxyphenyl)-2-methyl-6-(2,2,2-trifluoroacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one?
7-(4-methoxyphenyl)-2-methyl-6-(2,2,2-trifluoroacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one has a molecular weight of 340.30 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-2-methyl-6-(2,2,2-trifluoroacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one is sourced from PubChem (CID 53387855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).