1-(2-methoxyphenyl)-5-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide

C23H24N4O3 — CID 55518874

IUPAC1-(2-methoxyphenyl)-5-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CC(C(=O)NCCc2cnn(-c3ccccc3)c2)CC1=O
InChIInChI=1S/C23H24N4O3/c1-30-21-10-6-5-9-20(21)26-16-18(13-22(26)28)23(29)24-12-11-17-14-25-27(15-17)19-7-3-2-4-8-19/h2-10,14-15,18H,11-13,16H2,1H3,(H,24,29)
InChIKeyHXZDTXWOICLLTG-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.59
Rot. Bonds7

About 1-(2-methoxyphenyl)-5-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide

1-(2-methoxyphenyl)-5-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 55518874) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID55518874
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name1-(2-methoxyphenyl)-5-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CC(C(=O)NCCc2cnn(-c3ccccc3)c2)CC1=O
InChIInChI=1S/C23H24N4O3/c1-30-21-10-6-5-9-20(21)26-16-18(13-22(26)28)23(29)24-12-11-17-14-25-27(15-17)19-7-3-2-4-8-19/h2-10,14-15,18H,11-13,16H2,1H3,(H,24,29)
InChIKeyHXZDTXWOICLLTG-UHFFFAOYSA-N
XLogP2.59
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
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CID 97161779
N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24624710
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide
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1-(2-methoxyethyl)-6-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 45236878
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
1-(2-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 24624650
N-[2-(3-methoxyphenyl)ethyl]-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
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1-(2-cyanophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113191756
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 85002063
1-(3,4-dimethoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 110614916
N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84955148

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-5-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide (CID 55518874) is 1-(2-methoxyphenyl)-5-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-5-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide is COc1ccccc1N1CC(C(=O)NCCc2cnn(-c3ccccc3)c2)CC1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-5-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is HXZDTXWOICLLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-30-21-10-6-5-9-20(21)26-16-18(13-22(26)28)23(29)24-12-11-17-14-25-27(15-17)19-7-3-2-4-8-19/h2-10,14-15,18H,11-13,16H2,1H3,(H,24,29).
What are the key properties of 1-(2-methoxyphenyl)-5-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
1-(2-methoxyphenyl)-5-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55518874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).