4-(hydroxymethyl)-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one

C15H17N3O2 — CID 168662663

IUPAC4-(hydroxymethyl)-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one
SMILESCc1cc(N2CC(CO)CC2=O)n(-c2ccccc2)n1
InChIInChI=1S/C15H17N3O2/c1-11-7-14(17-9-12(10-19)8-15(17)20)18(16-11)13-5-3-2-4-6-13/h2-7,12,19H,8-10H2,1H3
InChIKeyFSKCCVIZANTKHJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.53
Rot. Bonds3

About 4-(hydroxymethyl)-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one

4-(hydroxymethyl)-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 168662663) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID168662663
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-(hydroxymethyl)-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one
SMILESCc1cc(N2CC(CO)CC2=O)n(-c2ccccc2)n1
InChIInChI=1S/C15H17N3O2/c1-11-7-14(17-9-12(10-19)8-15(17)20)18(16-11)13-5-3-2-4-6-13/h2-7,12,19H,8-10H2,1H3
InChIKeyFSKCCVIZANTKHJ-UHFFFAOYSA-N
XLogP1.53
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one (CID 168662663) is 4-(hydroxymethyl)-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one is Cc1cc(N2CC(CO)CC2=O)n(-c2ccccc2)n1.
What is the InChIKey of 4-(hydroxymethyl)-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is FSKCCVIZANTKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-7-14(17-9-12(10-19)8-15(17)20)18(16-11)13-5-3-2-4-6-13/h2-7,12,19H,8-10H2,1H3.
What are the key properties of 4-(hydroxymethyl)-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one?
4-(hydroxymethyl)-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 271.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 168662663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).