5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-2-(pyridin-3-ylmethyl)pyrazolidin-3-one

C22H27N3O3 — CID 19777305

IUPAC5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-2-(pyridin-3-ylmethyl)pyrazolidin-3-one
SMILESCOc1ccc(C2CC(=O)N(Cc3cccnc3)N2C)cc1OC1CCCC1
InChIInChI=1S/C22H27N3O3/c1-24-19(13-22(26)25(24)15-16-6-5-11-23-14-16)17-9-10-20(27-2)21(12-17)28-18-7-3-4-8-18/h5-6,9-12,14,18-19H,3-4,7-8,13,15H2,1-2H3
InChIKeyGLAHLVBSSSBACC-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.73
Rot. Bonds6

About 5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-2-(pyridin-3-ylmethyl)pyrazolidin-3-one

5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-2-(pyridin-3-ylmethyl)pyrazolidin-3-one (PubChem CID 19777305) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-2-(pyridin-3-ylmethyl)pyrazolidin-3-one.

Molecular Properties

Compound Name5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-2-(pyridin-3-ylmethyl)pyrazolidin-3-one
PubChem CID19777305
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-2-(pyridin-3-ylmethyl)pyrazolidin-3-one
SMILESCOc1ccc(C2CC(=O)N(Cc3cccnc3)N2C)cc1OC1CCCC1
InChIInChI=1S/C22H27N3O3/c1-24-19(13-22(26)25(24)15-16-6-5-11-23-14-16)17-9-10-20(27-2)21(12-17)28-18-7-3-4-8-18/h5-6,9-12,14,18-19H,3-4,7-8,13,15H2,1-2H3
InChIKeyGLAHLVBSSSBACC-UHFFFAOYSA-N
XLogP3.73
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-2-(pyridin-3-ylmethyl)pyrazolidin-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

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-2-(pyridin-3-ylmethyl)pyrazolidin-3-one?
The IUPAC name of 5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-2-(pyridin-3-ylmethyl)pyrazolidin-3-one (CID 19777305) is 5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-2-(pyridin-3-ylmethyl)pyrazolidin-3-one.
What is the SMILES notation for 5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-2-(pyridin-3-ylmethyl)pyrazolidin-3-one?
The canonical SMILES for 5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-2-(pyridin-3-ylmethyl)pyrazolidin-3-one is COc1ccc(C2CC(=O)N(Cc3cccnc3)N2C)cc1OC1CCCC1.
What is the InChIKey of 5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-2-(pyridin-3-ylmethyl)pyrazolidin-3-one?
The InChIKey is GLAHLVBSSSBACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-24-19(13-22(26)25(24)15-16-6-5-11-23-14-16)17-9-10-20(27-2)21(12-17)28-18-7-3-4-8-18/h5-6,9-12,14,18-19H,3-4,7-8,13,15H2,1-2H3.
What are the key properties of 5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-2-(pyridin-3-ylmethyl)pyrazolidin-3-one?
5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-2-(pyridin-3-ylmethyl)pyrazolidin-3-one has a molecular weight of 381.48 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-2-(pyridin-3-ylmethyl)pyrazolidin-3-one is sourced from PubChem (CID 19777305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).