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

C20H18FN3O2 — CID 118239040

IUPAC3-(3-fluorophenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
SMILESCOc1cc(N2CCC(c3cccc(F)c3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C20H18FN3O2/c1-26-19-10-16(5-6-17(19)14-11-22-23-12-14)24-8-7-18(20(24)25)13-3-2-4-15(21)9-13/h2-6,9-12,18H,7-8H2,1H3,(H,22,23)
InChIKeyKXGHXYFGWYUQQX-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.74
Rot. Bonds4

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

3-(3-fluorophenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one (PubChem CID 118239040) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
PubChem CID118239040
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name3-(3-fluorophenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
SMILESCOc1cc(N2CCC(c3cccc(F)c3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C20H18FN3O2/c1-26-19-10-16(5-6-17(19)14-11-22-23-12-14)24-8-7-18(20(24)25)13-3-2-4-15(21)9-13/h2-6,9-12,18H,7-8H2,1H3,(H,22,23)
InChIKeyKXGHXYFGWYUQQX-UHFFFAOYSA-N
XLogP3.74
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 3-(3-fluorophenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one (CID 118239040) is 3-(3-fluorophenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one is COc1cc(N2CCC(c3cccc(F)c3)C2=O)ccc1-c1cn[nH]c1.
What is the InChIKey of 3-(3-fluorophenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The InChIKey is KXGHXYFGWYUQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-26-19-10-16(5-6-17(19)14-11-22-23-12-14)24-8-7-18(20(24)25)13-3-2-4-15(21)9-13/h2-6,9-12,18H,7-8H2,1H3,(H,22,23).
What are the key properties of 3-(3-fluorophenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
3-(3-fluorophenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one has a molecular weight of 351.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 118239040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).