[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-cyclobutylmethanone

C17H21ClN2O4 — CID 3674670

IUPAC[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-cyclobutylmethanone
SMILESCOc1ccc(Cl)c(OC)c1C(=O)N1CCCN1C(=O)C1CCC1
InChIInChI=1S/C17H21ClN2O4/c1-23-13-8-7-12(18)15(24-2)14(13)17(22)20-10-4-9-19(20)16(21)11-5-3-6-11/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyDDIRQWOBRLASBT-UHFFFAOYSA-N
MW352.82 g/mol
LogP2.75
Rot. Bonds4

About [2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-cyclobutylmethanone

[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-cyclobutylmethanone (PubChem CID 3674670) has the molecular formula C17H21ClN2O4 and a molecular weight of 352.82 g/mol. Its IUPAC name is [2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-cyclobutylmethanone
PubChem CID3674670
Molecular FormulaC17H21ClN2O4
Molecular Weight352.82 g/mol
Exact Mass352.12
IUPAC Name[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-cyclobutylmethanone
SMILESCOc1ccc(Cl)c(OC)c1C(=O)N1CCCN1C(=O)C1CCC1
InChIInChI=1S/C17H21ClN2O4/c1-23-13-8-7-12(18)15(24-2)14(13)17(22)20-10-4-9-19(20)16(21)11-5-3-6-11/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyDDIRQWOBRLASBT-UHFFFAOYSA-N
XLogP2.75
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-2-ethylsulfanylethanone
CID 3806515
2-(3-chloro-2,6-dimethoxybenzoyl)-N-(2-methylpropyl)pyrazolidine-1-carbothioamide
CID 3443391
2-(5-bromo-3-pyridinyl)-1-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]ethanone
CID 23910486
2-(3-chloro-2,6-dimethoxybenzoyl)-N-(furan-2-ylmethyl)pyrazolidine-1-carbothioamide
CID 3445334
(3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110755240
2-[2-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 3869263
lithium (3-chloro-2,6-dimethoxybenzoyl)-cyclopentylphosphanide
CID 141023125
cyclopropyl-[4-(2,4-dimethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110806504
(3-chloro-2,6-dimethoxyphenyl)-(2-chloro-6-methoxyphenyl)methanone
CID 152725643
[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56511112
[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone
CID 110818768
N-[1-(3-chloro-2,6-dimethoxyphenyl)ethenyl]-1-methylpyrrolidin-2-amine
CID 89080550

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-cyclobutylmethanone?
The IUPAC name of [2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-cyclobutylmethanone (CID 3674670) is [2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-cyclobutylmethanone is COc1ccc(Cl)c(OC)c1C(=O)N1CCCN1C(=O)C1CCC1.
What is the InChIKey of [2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-cyclobutylmethanone?
The InChIKey is DDIRQWOBRLASBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O4/c1-23-13-8-7-12(18)15(24-2)14(13)17(22)20-10-4-9-19(20)16(21)11-5-3-6-11/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of [2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-cyclobutylmethanone?
[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-cyclobutylmethanone has a molecular weight of 352.82 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 3674670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).