1-[2-[4-(2-hydroxybenzoyl)pyrazol-1-yl]-2-oxoethyl]pyrrolidin-2-one

C16H15N3O4 — CID 4789383

IUPAC1-[2-[4-(2-hydroxybenzoyl)pyrazol-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C(c1cnn(C(=O)CN2CCCC2=O)c1)c1ccccc1O
InChIInChI=1S/C16H15N3O4/c20-13-5-2-1-4-12(13)16(23)11-8-17-19(9-11)15(22)10-18-7-3-6-14(18)21/h1-2,4-5,8-9,20H,3,6-7,10H2
InChIKeyPXCXKHMAQLGENH-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.08
Rot. Bonds4

About 1-[2-[4-(2-hydroxybenzoyl)pyrazol-1-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[4-(2-hydroxybenzoyl)pyrazol-1-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 4789383) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 1-[2-[4-(2-hydroxybenzoyl)pyrazol-1-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-hydroxybenzoyl)pyrazol-1-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID4789383
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name1-[2-[4-(2-hydroxybenzoyl)pyrazol-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C(c1cnn(C(=O)CN2CCCC2=O)c1)c1ccccc1O
InChIInChI=1S/C16H15N3O4/c20-13-5-2-1-4-12(13)16(23)11-8-17-19(9-11)15(22)10-18-7-3-6-14(18)21/h1-2,4-5,8-9,20H,3,6-7,10H2
InChIKeyPXCXKHMAQLGENH-UHFFFAOYSA-N
XLogP1.08
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-hydroxybenzoyl)pyrazol-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-(2-hydroxybenzoyl)pyrazol-1-yl]-2-oxoethyl]pyrrolidin-2-one (CID 4789383) is 1-[2-[4-(2-hydroxybenzoyl)pyrazol-1-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-(2-hydroxybenzoyl)pyrazol-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-(2-hydroxybenzoyl)pyrazol-1-yl]-2-oxoethyl]pyrrolidin-2-one is O=C(c1cnn(C(=O)CN2CCCC2=O)c1)c1ccccc1O.
What is the InChIKey of 1-[2-[4-(2-hydroxybenzoyl)pyrazol-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is PXCXKHMAQLGENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c20-13-5-2-1-4-12(13)16(23)11-8-17-19(9-11)15(22)10-18-7-3-6-14(18)21/h1-2,4-5,8-9,20H,3,6-7,10H2.
What are the key properties of 1-[2-[4-(2-hydroxybenzoyl)pyrazol-1-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[4-(2-hydroxybenzoyl)pyrazol-1-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 313.31 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-hydroxybenzoyl)pyrazol-1-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 4789383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).