1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-methylsulfanylethanone

C17H22N2O3S — CID 4524182

IUPAC1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-methylsulfanylethanone
SMILESCOc1ccc(C2(C(=O)N3CCCN3C(=O)CSC)CC2)cc1
InChIInChI=1S/C17H22N2O3S/c1-22-14-6-4-13(5-7-14)17(8-9-17)16(21)19-11-3-10-18(19)15(20)12-23-2/h4-7H,3,8-12H2,1-2H3
InChIKeyWPMKJWZXBFJDAX-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.07
Rot. Bonds5

About 1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-methylsulfanylethanone

1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-methylsulfanylethanone (PubChem CID 4524182) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-methylsulfanylethanone
PubChem CID4524182
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-methylsulfanylethanone
SMILESCOc1ccc(C2(C(=O)N3CCCN3C(=O)CSC)CC2)cc1
InChIInChI=1S/C17H22N2O3S/c1-22-14-6-4-13(5-7-14)17(8-9-17)16(21)19-11-3-10-18(19)15(20)12-23-2/h4-7H,3,8-12H2,1-2H3
InChIKeyWPMKJWZXBFJDAX-UHFFFAOYSA-N
XLogP2.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 3346570
1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
CID 3764291
N-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 3848570
[2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl] acetate
CID 5016357
methyl 6-oxo-6-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]hexanoate
CID 3722831
[1-(4-methoxyphenyl)cyclopropyl]-(2-methylpiperidin-1-yl)methanone
CID 110485731
[1-(4-methoxyphenyl)cyclopropyl]-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 124954939
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
[(4R)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 95712054
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 56914468
[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 124994936
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 113198428

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-methylsulfanylethanone?
The IUPAC name of 1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-methylsulfanylethanone (CID 4524182) is 1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-methylsulfanylethanone.
What is the SMILES notation for 1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-methylsulfanylethanone?
The canonical SMILES for 1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-methylsulfanylethanone is COc1ccc(C2(C(=O)N3CCCN3C(=O)CSC)CC2)cc1.
What is the InChIKey of 1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-methylsulfanylethanone?
The InChIKey is WPMKJWZXBFJDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-22-14-6-4-13(5-7-14)17(8-9-17)16(21)19-11-3-10-18(19)15(20)12-23-2/h4-7H,3,8-12H2,1-2H3.
What are the key properties of 1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-methylsulfanylethanone?
1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-methylsulfanylethanone has a molecular weight of 334.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-methylsulfanylethanone is sourced from PubChem (CID 4524182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).