1-(4-ethoxyphenyl)-5-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide

C22H22N4O3 — CID 46601977

IUPAC1-(4-ethoxyphenyl)-5-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)Nc3cccc(-c4ccn[nH]4)c3)CC2=O)cc1
InChIInChI=1S/C22H22N4O3/c1-2-29-19-8-6-18(7-9-19)26-14-16(13-21(26)27)22(28)24-17-5-3-4-15(12-17)20-10-11-23-25-20/h3-12,16H,2,13-14H2,1H3,(H,23,25)(H,24,28)
InChIKeyXNUDMUYYDVJNOR-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.47
Rot. Bonds6

About 1-(4-ethoxyphenyl)-5-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide

1-(4-ethoxyphenyl)-5-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 46601977) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-5-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-5-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID46601977
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name1-(4-ethoxyphenyl)-5-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)Nc3cccc(-c4ccn[nH]4)c3)CC2=O)cc1
InChIInChI=1S/C22H22N4O3/c1-2-29-19-8-6-18(7-9-19)26-14-16(13-21(26)27)22(28)24-17-5-3-4-15(12-17)20-10-11-23-25-20/h3-12,16H,2,13-14H2,1H3,(H,23,25)(H,24,28)
InChIKeyXNUDMUYYDVJNOR-UHFFFAOYSA-N
XLogP3.47
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-ethoxyphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1072645
N-(3-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 2968748
(3S)-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51963605
(3R)-1-(4-ethoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 1088301
(3R)-1-(4-ethoxyphenyl)-5-oxo-N-[3-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
CID 38668542
N-(4-acetamidophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3342359
N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
(3S)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988212
(3R)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988215
(3S)-N-(4-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7325492
(3S)-N-(3-chloro-4-methylphenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1330971
(3R)-N-(3-chlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 2197777

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-5-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)-5-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide (CID 46601977) is 1-(4-ethoxyphenyl)-5-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)-5-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)-5-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide is CCOc1ccc(N2CC(C(=O)Nc3cccc(-c4ccn[nH]4)c3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-5-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is XNUDMUYYDVJNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-2-29-19-8-6-18(7-9-19)26-14-16(13-21(26)27)22(28)24-17-5-3-4-15(12-17)20-10-11-23-25-20/h3-12,16H,2,13-14H2,1H3,(H,23,25)(H,24,28).
What are the key properties of 1-(4-ethoxyphenyl)-5-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide?
1-(4-ethoxyphenyl)-5-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-5-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 46601977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).