4-hydroxy-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one

C14H15N3O2 — CID 168703040

IUPAC4-hydroxy-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one
SMILESO=C1CC(O)CN1Cc1ccccc1-n1cccn1
InChIInChI=1S/C14H15N3O2/c18-12-8-14(19)16(10-12)9-11-4-1-2-5-13(11)17-7-3-6-15-17/h1-7,12,18H,8-10H2
InChIKeyBRCJBGXIQMKBIS-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.97
Rot. Bonds3

About 4-hydroxy-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one

4-hydroxy-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one (PubChem CID 168703040) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-hydroxy-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one
PubChem CID168703040
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-hydroxy-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one
SMILESO=C1CC(O)CN1Cc1ccccc1-n1cccn1
InChIInChI=1S/C14H15N3O2/c18-12-8-14(19)16(10-12)9-11-4-1-2-5-13(11)17-7-3-6-15-17/h1-7,12,18H,8-10H2
InChIKeyBRCJBGXIQMKBIS-UHFFFAOYSA-N
XLogP0.97
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one (CID 168703040) is 4-hydroxy-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one is O=C1CC(O)CN1Cc1ccccc1-n1cccn1.
What is the InChIKey of 4-hydroxy-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is BRCJBGXIQMKBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-12-8-14(19)16(10-12)9-11-4-1-2-5-13(11)17-7-3-6-15-17/h1-7,12,18H,8-10H2.
What are the key properties of 4-hydroxy-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one?
4-hydroxy-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 257.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 168703040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).