(7R)-6-ethoxy-7-(4-methoxyphenyl)-5-methyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one

C16H20N2O3 — CID 164666851

IUPAC(7R)-6-ethoxy-7-(4-methoxyphenyl)-5-methyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one
SMILESCCOC1=C(C)N2C(=O)CCN2[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C16H20N2O3/c1-4-21-16-11(2)18-14(19)9-10-17(18)15(16)12-5-7-13(20-3)8-6-12/h5-8,15H,4,9-10H2,1-3H3/t15-/m1/s1
InChIKeyMQHNOQVQWNRKRJ-OAHLLOKOSA-N
MW288.35 g/mol
LogP2.47
Rot. Bonds4

About (7R)-6-ethoxy-7-(4-methoxyphenyl)-5-methyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one

(7R)-6-ethoxy-7-(4-methoxyphenyl)-5-methyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one (PubChem CID 164666851) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (7R)-6-ethoxy-7-(4-methoxyphenyl)-5-methyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one.

Molecular Properties

Compound Name(7R)-6-ethoxy-7-(4-methoxyphenyl)-5-methyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one
PubChem CID164666851
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(7R)-6-ethoxy-7-(4-methoxyphenyl)-5-methyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one
SMILESCCOC1=C(C)N2C(=O)CCN2[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C16H20N2O3/c1-4-21-16-11(2)18-14(19)9-10-17(18)15(16)12-5-7-13(20-3)8-6-12/h5-8,15H,4,9-10H2,1-3H3/t15-/m1/s1
InChIKeyMQHNOQVQWNRKRJ-OAHLLOKOSA-N
XLogP2.47
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7R)-6-ethoxy-7-(4-methoxyphenyl)-5-methyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(4-Methoxyphenyl)pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 71894403
(3aR,6aS)-4-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 97458660
1-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 40054507
1-Isobutyryl-2-(4-methoxyphenyl)pyrrolidine
CID 42932809
1-[(4-Methoxyphenyl)methyl]-N-methyl-5-oxo-N-(propan-2-YL)pyrrolidine-3-carboxamide
CID 46705226
(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)-2,5-dihydropyrrole
CID 15472636
ethyl (7R)-7-(4-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate
CID 132255165
(5S)-5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 96079938
1-[1-(4-Decoxyphenyl)-2,2,2-trifluoroethyl]pyrazolidin-3-one
CID 140178600
1-[1-(4-Decoxyphenyl)-2,2,2-trifluoroethyl]-4,4-dimethylpyrazolidin-3-one
CID 140178712
1-[2,2,2-Trifluoro-1-(4-octoxyphenyl)ethyl]pyrazolidin-3-one
CID 140178883
1-[2,2,2-Trifluoro-1-(4-heptoxyphenyl)ethyl]pyrazolidin-3-one
CID 140178943

Frequently Asked Questions

What is the IUPAC name of (7R)-6-ethoxy-7-(4-methoxyphenyl)-5-methyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one?
The IUPAC name of (7R)-6-ethoxy-7-(4-methoxyphenyl)-5-methyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one (CID 164666851) is (7R)-6-ethoxy-7-(4-methoxyphenyl)-5-methyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one.
What is the SMILES notation for (7R)-6-ethoxy-7-(4-methoxyphenyl)-5-methyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one?
The canonical SMILES for (7R)-6-ethoxy-7-(4-methoxyphenyl)-5-methyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one is CCOC1=C(C)N2C(=O)CCN2[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of (7R)-6-ethoxy-7-(4-methoxyphenyl)-5-methyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one?
The InChIKey is MQHNOQVQWNRKRJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-21-16-11(2)18-14(19)9-10-17(18)15(16)12-5-7-13(20-3)8-6-12/h5-8,15H,4,9-10H2,1-3H3/t15-/m1/s1.
What are the key properties of (7R)-6-ethoxy-7-(4-methoxyphenyl)-5-methyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one?
(7R)-6-ethoxy-7-(4-methoxyphenyl)-5-methyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one has a molecular weight of 288.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-6-ethoxy-7-(4-methoxyphenyl)-5-methyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-one is sourced from PubChem (CID 164666851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).