1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone

C25H30N2O6 — CID 3764291

IUPAC1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
SMILESCOc1ccc(C2(C(=O)N3CCCN3C(=O)Cc3ccc(OC)c(OC)c3OC)CC2)cc1
InChIInChI=1S/C25H30N2O6/c1-30-19-9-7-18(8-10-19)25(12-13-25)24(29)27-15-5-14-26(27)21(28)16-17-6-11-20(31-2)23(33-4)22(17)32-3/h6-11H,5,12-16H2,1-4H3
InChIKeyATTUXFIDVMXJNF-UHFFFAOYSA-N
MW454.52 g/mol
LogP2.97
Rot. Bonds8

About 1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone

1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone (PubChem CID 3764291) has the molecular formula C25H30N2O6 and a molecular weight of 454.52 g/mol. Its IUPAC name is 1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
PubChem CID3764291
Molecular FormulaC25H30N2O6
Molecular Weight454.52 g/mol
Exact Mass454.21
IUPAC Name1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
SMILESCOc1ccc(C2(C(=O)N3CCCN3C(=O)Cc3ccc(OC)c(OC)c3OC)CC2)cc1
InChIInChI=1S/C25H30N2O6/c1-30-19-9-7-18(8-10-19)25(12-13-25)24(29)27-15-5-14-26(27)21(28)16-17-6-11-20(31-2)23(33-4)22(17)32-3/h6-11H,5,12-16H2,1-4H3
InChIKeyATTUXFIDVMXJNF-UHFFFAOYSA-N
XLogP2.97
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-methylsulfanylethanone
CID 4524182
N-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 3848570
2-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 3346570
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone
CID 18122079
1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
CID 3540499
2-(1-phenylcyclopropanecarbonyl)-N-(3,4,5-trimethoxyphenyl)pyrazolidine-1-carbothioamide
CID 4636917
[2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl] acetate
CID 5016357
1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 86925548
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
CID 8867499
[1-(4-methoxyphenyl)cyclopropyl]-(2-methylpiperidin-1-yl)methanone
CID 110485731
1-(4-tert-butylphenyl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 86885316
1-amino-N-[(2,3,4-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119285335

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone?
The IUPAC name of 1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone (CID 3764291) is 1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone.
What is the SMILES notation for 1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone?
The canonical SMILES for 1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone is COc1ccc(C2(C(=O)N3CCCN3C(=O)Cc3ccc(OC)c(OC)c3OC)CC2)cc1.
What is the InChIKey of 1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone?
The InChIKey is ATTUXFIDVMXJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O6/c1-30-19-9-7-18(8-10-19)25(12-13-25)24(29)27-15-5-14-26(27)21(28)16-17-6-11-20(31-2)23(33-4)22(17)32-3/h6-11H,5,12-16H2,1-4H3.
What are the key properties of 1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone?
1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone has a molecular weight of 454.52 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone is sourced from PubChem (CID 3764291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).