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

C19H17N3O2 — CID 138567238

IUPAC3-(3-hydroxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
SMILESO=C1C(c2cccc(O)c2)CCN1c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H17N3O2/c23-17-3-1-2-14(10-17)18-8-9-22(19(18)24)16-6-4-13(5-7-16)15-11-20-21-12-15/h1-7,10-12,18,23H,8-9H2,(H,20,21)
InChIKeyAKQJLKXLAXENOP-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.30
Rot. Bonds3

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

3-(3-hydroxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one (PubChem CID 138567238) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
PubChem CID138567238
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name3-(3-hydroxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
SMILESO=C1C(c2cccc(O)c2)CCN1c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H17N3O2/c23-17-3-1-2-14(10-17)18-8-9-22(19(18)24)16-6-4-13(5-7-16)15-11-20-21-12-15/h1-7,10-12,18,23H,8-9H2,(H,20,21)
InChIKeyAKQJLKXLAXENOP-UHFFFAOYSA-N
XLogP3.30
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 3-(3-hydroxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one (CID 138567238) is 3-(3-hydroxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(3-hydroxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 3-(3-hydroxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one is O=C1C(c2cccc(O)c2)CCN1c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 3-(3-hydroxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The InChIKey is AKQJLKXLAXENOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-17-3-1-2-14(10-17)18-8-9-22(19(18)24)16-6-4-13(5-7-16)15-11-20-21-12-15/h1-7,10-12,18,23H,8-9H2,(H,20,21).
What are the key properties of 3-(3-hydroxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
3-(3-hydroxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one has a molecular weight of 319.36 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 138567238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).