5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazolidin-3-one

C19H22N2O2 — CID 46901187

IUPAC5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazolidin-3-one
SMILESCOc1ccc(C2CC(=O)NN2c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H22N2O2/c1-13(2)14-4-8-16(9-5-14)21-18(12-19(22)20-21)15-6-10-17(23-3)11-7-15/h4-11,13,18H,12H2,1-3H3,(H,20,22)
InChIKeyNUGAZRZYGNMEHV-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.80
Rot. Bonds4

About 5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazolidin-3-one

5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazolidin-3-one (PubChem CID 46901187) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazolidin-3-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazolidin-3-one
PubChem CID46901187
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazolidin-3-one
SMILESCOc1ccc(C2CC(=O)NN2c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H22N2O2/c1-13(2)14-4-8-16(9-5-14)21-18(12-19(22)20-21)15-6-10-17(23-3)11-7-15/h4-11,13,18H,12H2,1-3H3,(H,20,22)
InChIKeyNUGAZRZYGNMEHV-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 3117510
2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one
CID 14047057
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
2-(4-methoxyphenyl)-5-propan-2-ylpyrazolidin-3-one
CID 105494571
(3Z)-1-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methylidene]pyrrolidine-2,5-dione
CID 54601476
5,7-dimethoxy-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 17312453
[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
CID 25499909
3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 46502755
(3S)-3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7277243
5-amino-6-(4-propan-2-ylphenyl)piperidin-2-one
CID 64539749
1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine
CID 3987731

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazolidin-3-one?
The IUPAC name of 5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazolidin-3-one (CID 46901187) is 5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazolidin-3-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazolidin-3-one?
The canonical SMILES for 5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazolidin-3-one is COc1ccc(C2CC(=O)NN2c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazolidin-3-one?
The InChIKey is NUGAZRZYGNMEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13(2)14-4-8-16(9-5-14)21-18(12-19(22)20-21)15-6-10-17(23-3)11-7-15/h4-11,13,18H,12H2,1-3H3,(H,20,22).
What are the key properties of 5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazolidin-3-one?
5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazolidin-3-one has a molecular weight of 310.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazolidin-3-one is sourced from PubChem (CID 46901187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).