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

C20H19N3O2 — CID 118238896

IUPAC3-(3-methoxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
SMILESCOc1cccc(C2CCN(c3ccc(-c4cn[nH]c4)cc3)C2=O)c1
InChIInChI=1S/C20H19N3O2/c1-25-18-4-2-3-15(11-18)19-9-10-23(20(19)24)17-7-5-14(6-8-17)16-12-21-22-13-16/h2-8,11-13,19H,9-10H2,1H3,(H,21,22)
InChIKeyXMMVGDBBDROGRJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.61
Rot. Bonds4

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

3-(3-methoxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one (PubChem CID 118238896) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
PubChem CID118238896
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name3-(3-methoxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
SMILESCOc1cccc(C2CCN(c3ccc(-c4cn[nH]c4)cc3)C2=O)c1
InChIInChI=1S/C20H19N3O2/c1-25-18-4-2-3-15(11-18)19-9-10-23(20(19)24)17-7-5-14(6-8-17)16-12-21-22-13-16/h2-8,11-13,19H,9-10H2,1H3,(H,21,22)
InChIKeyXMMVGDBBDROGRJ-UHFFFAOYSA-N
XLogP3.61
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 3-(3-methoxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one (CID 118238896) is 3-(3-methoxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 3-(3-methoxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one is COc1cccc(C2CCN(c3ccc(-c4cn[nH]c4)cc3)C2=O)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The InChIKey is XMMVGDBBDROGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-25-18-4-2-3-15(11-18)19-9-10-23(20(19)24)17-7-5-14(6-8-17)16-12-21-22-13-16/h2-8,11-13,19H,9-10H2,1H3,(H,21,22).
What are the key properties of 3-(3-methoxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
3-(3-methoxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one has a molecular weight of 333.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 118238896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).