2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone

C18H22ClN3O2 — CID 56814450

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
SMILESCOc1cccc(C2CCCN2C(=O)Cn2nc(C)c(Cl)c2C)c1
InChIInChI=1S/C18H22ClN3O2/c1-12-18(19)13(2)22(20-12)11-17(23)21-9-5-8-16(21)14-6-4-7-15(10-14)24-3/h4,6-7,10,16H,5,8-9,11H2,1-3H3
InChIKeyAHCJLQDFNVUVLE-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.53
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 56814450) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
PubChem CID56814450
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
SMILESCOc1cccc(C2CCCN2C(=O)Cn2nc(C)c(Cl)c2C)c1
InChIInChI=1S/C18H22ClN3O2/c1-12-18(19)13(2)22(20-12)11-17(23)21-9-5-8-16(21)14-6-4-7-15(10-14)24-3/h4,6-7,10,16H,5,8-9,11H2,1-3H3
InChIKeyAHCJLQDFNVUVLE-UHFFFAOYSA-N
XLogP3.53
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569308
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 51688220
2-(2-chlorophenoxy)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51325114
2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 64610151
1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
CID 70768855
1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 96576899
1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119700018
4-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzoic acid
CID 125120944
4-chloro-N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide
CID 46536620
5-[3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 99698544

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone (CID 56814450) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone is COc1cccc(C2CCCN2C(=O)Cn2nc(C)c(Cl)c2C)c1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is AHCJLQDFNVUVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-12-18(19)13(2)22(20-12)11-17(23)21-9-5-8-16(21)14-6-4-7-15(10-14)24-3/h4,6-7,10,16H,5,8-9,11H2,1-3H3.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 347.85 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 56814450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).