3-(3-methoxyphenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one

C21H21N3O3 — CID 118239044

IUPAC3-(3-methoxyphenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
SMILESCOc1cccc(C2CCN(c3ccc(-c4cn[nH]c4)c(OC)c3)C2=O)c1
InChIInChI=1S/C21H21N3O3/c1-26-17-5-3-4-14(10-17)19-8-9-24(21(19)25)16-6-7-18(20(11-16)27-2)15-12-22-23-13-15/h3-7,10-13,19H,8-9H2,1-2H3,(H,22,23)
InChIKeyCFUXOCKTZIWRDT-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.61
Rot. Bonds5

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

3-(3-methoxyphenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one (PubChem CID 118239044) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
PubChem CID118239044
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name3-(3-methoxyphenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
SMILESCOc1cccc(C2CCN(c3ccc(-c4cn[nH]c4)c(OC)c3)C2=O)c1
InChIInChI=1S/C21H21N3O3/c1-26-17-5-3-4-14(10-17)19-8-9-24(21(19)25)16-6-7-18(20(11-16)27-2)15-12-22-23-13-15/h3-7,10-13,19H,8-9H2,1-2H3,(H,22,23)
InChIKeyCFUXOCKTZIWRDT-UHFFFAOYSA-N
XLogP3.61
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 3-(3-methoxyphenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one (CID 118239044) is 3-(3-methoxyphenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 3-(3-methoxyphenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one is COc1cccc(C2CCN(c3ccc(-c4cn[nH]c4)c(OC)c3)C2=O)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The InChIKey is CFUXOCKTZIWRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-17-5-3-4-14(10-17)19-8-9-24(21(19)25)16-6-7-18(20(11-16)27-2)15-12-22-23-13-15/h3-7,10-13,19H,8-9H2,1-2H3,(H,22,23).
What are the key properties of 3-(3-methoxyphenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
3-(3-methoxyphenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one has a molecular weight of 363.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 118239044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).