2-[1-[2-(2-chloro-6-methoxyphenyl)acetyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone

C19H22ClN3O3 — CID 136531707

IUPAC2-[1-[2-(2-chloro-6-methoxyphenyl)acetyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCOc1cccc(Cl)c1CC(=O)N1CCCC1CC(=O)c1cnn(C)c1
InChIInChI=1S/C19H22ClN3O3/c1-22-12-13(11-21-22)17(24)9-14-5-4-8-23(14)19(25)10-15-16(20)6-3-7-18(15)26-2/h3,6-7,11-12,14H,4-5,8-10H2,1-2H3
InChIKeyIAQCRTXTBZHIDL-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.89
Rot. Bonds6

About 2-[1-[2-(2-chloro-6-methoxyphenyl)acetyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone

2-[1-[2-(2-chloro-6-methoxyphenyl)acetyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (PubChem CID 136531707) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-[1-[2-(2-chloro-6-methoxyphenyl)acetyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[1-[2-(2-chloro-6-methoxyphenyl)acetyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
PubChem CID136531707
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name2-[1-[2-(2-chloro-6-methoxyphenyl)acetyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCOc1cccc(Cl)c1CC(=O)N1CCCC1CC(=O)c1cnn(C)c1
InChIInChI=1S/C19H22ClN3O3/c1-22-12-13(11-21-22)17(24)9-14-5-4-8-23(14)19(25)10-15-16(20)6-3-7-18(15)26-2/h3,6-7,11-12,14H,4-5,8-10H2,1-2H3
InChIKeyIAQCRTXTBZHIDL-UHFFFAOYSA-N
XLogP2.89
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(2,4-difluorophenyl)acetyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 84592445
2-(2-chloro-6-methoxyphenyl)-1-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 136531704
2-(2-chloro-6-methoxyphenyl)-1-[2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 86793609
2-[1-(3-methoxythiophene-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 136516635
3-(4-fluorophenyl)-1-[(2R)-2-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]pyrrolidin-1-yl]propan-1-one
CID 124592360
2-[1-(4-fluoro-3-methoxybenzoyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75435113
2-[(2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 97248069
2-[1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75393457
2-[(2S)-1-[(1S,5S)-bicyclo[3.1.0]hexane-6-carbonyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 98248444
2-(2,6-dichlorophenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61409223
2-(2,6-dichlorophenyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 66260583
1-[2-(2-chloro-6-methoxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 120684308

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-chloro-6-methoxyphenyl)acetyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-[1-[2-(2-chloro-6-methoxyphenyl)acetyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (CID 136531707) is 2-[1-[2-(2-chloro-6-methoxyphenyl)acetyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-[1-[2-(2-chloro-6-methoxyphenyl)acetyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-[1-[2-(2-chloro-6-methoxyphenyl)acetyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is COc1cccc(Cl)c1CC(=O)N1CCCC1CC(=O)c1cnn(C)c1.
What is the InChIKey of 2-[1-[2-(2-chloro-6-methoxyphenyl)acetyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is IAQCRTXTBZHIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-22-12-13(11-21-22)17(24)9-14-5-4-8-23(14)19(25)10-15-16(20)6-3-7-18(15)26-2/h3,6-7,11-12,14H,4-5,8-10H2,1-2H3.
What are the key properties of 2-[1-[2-(2-chloro-6-methoxyphenyl)acetyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
2-[1-[2-(2-chloro-6-methoxyphenyl)acetyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 375.86 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-chloro-6-methoxyphenyl)acetyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 136531707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).