1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(3-methoxyanilino)pyrrolidin-2-one

C22H24N4O3 — CID 122515789

IUPAC1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(3-methoxyanilino)pyrrolidin-2-one
SMILESCCOc1cc(N2CCC(Nc3cccc(OC)c3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C22H24N4O3/c1-3-29-21-12-17(7-8-19(21)15-13-23-24-14-15)26-10-9-20(22(26)27)25-16-5-4-6-18(11-16)28-2/h4-8,11-14,20,25H,3,9-10H2,1-2H3,(H,23,24)
InChIKeyVOIFVDLENHBMLV-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.70
Rot. Bonds7

About 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(3-methoxyanilino)pyrrolidin-2-one

1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(3-methoxyanilino)pyrrolidin-2-one (PubChem CID 122515789) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(3-methoxyanilino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(3-methoxyanilino)pyrrolidin-2-one
PubChem CID122515789
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(3-methoxyanilino)pyrrolidin-2-one
SMILESCCOc1cc(N2CCC(Nc3cccc(OC)c3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C22H24N4O3/c1-3-29-21-12-17(7-8-19(21)15-13-23-24-14-15)26-10-9-20(22(26)27)25-16-5-4-6-18(11-16)28-2/h4-8,11-14,20,25H,3,9-10H2,1-2H3,(H,23,24)
InChIKeyVOIFVDLENHBMLV-UHFFFAOYSA-N
XLogP3.70
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 118238979
1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(5-methoxy-2,3-dihydroindol-1-yl)pyrrolidin-2-one
CID 134254296
1-(4-bromophenyl)-3-(3-methoxyanilino)pyrrolidin-2-one
CID 122515859
3-(4-fluoro-2-methylanilino)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 138567307
3-(3-fluoroanilino)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 122515866
1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[2-(2-methoxyphenyl)ethyl]imidazolidin-2-one
CID 127033010
1-[3-(1-hydroxyethyl)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 158605330
3-[[1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-2-oxopyrrolidin-3-yl]amino]benzenesulfonamide
CID 122515768
1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-3-[3-(2H-tetrazol-5-yl)anilino]pyrrolidin-2-one
CID 122515869
3-[(3-chlorophenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118238909
1-[3-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-N-(3-fluoro-5-methoxyphenyl)-2-methylidenepyrrolidin-3-amine
CID 138567296
1-[2-(2-chlorophenyl)ethyl]-3-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
CID 127033011

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(3-methoxyanilino)pyrrolidin-2-one?
The IUPAC name of 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(3-methoxyanilino)pyrrolidin-2-one (CID 122515789) is 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(3-methoxyanilino)pyrrolidin-2-one.
What is the SMILES notation for 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(3-methoxyanilino)pyrrolidin-2-one?
The canonical SMILES for 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(3-methoxyanilino)pyrrolidin-2-one is CCOc1cc(N2CCC(Nc3cccc(OC)c3)C2=O)ccc1-c1cn[nH]c1.
What is the InChIKey of 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(3-methoxyanilino)pyrrolidin-2-one?
The InChIKey is VOIFVDLENHBMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-29-21-12-17(7-8-19(21)15-13-23-24-14-15)26-10-9-20(22(26)27)25-16-5-4-6-18(11-16)28-2/h4-8,11-14,20,25H,3,9-10H2,1-2H3,(H,23,24).
What are the key properties of 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(3-methoxyanilino)pyrrolidin-2-one?
1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(3-methoxyanilino)pyrrolidin-2-one has a molecular weight of 392.46 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(3-methoxyanilino)pyrrolidin-2-one is sourced from PubChem (CID 122515789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).