5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-dihydroindazol-3-one

C12H13N3O3 — CID 168663549

IUPAC5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-dihydroindazol-3-one
SMILESO=C1CC(CO)CN1c1ccc2[nH][nH]c(=O)c2c1
InChIInChI=1S/C12H13N3O3/c16-6-7-3-11(17)15(5-7)8-1-2-10-9(4-8)12(18)14-13-10/h1-2,4,7,16H,3,5-6H2,(H2,13,14,18)
InChIKeyRALYZUREVQJULR-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.20
Rot. Bonds2

About 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-dihydroindazol-3-one

5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-dihydroindazol-3-one (PubChem CID 168663549) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-dihydroindazol-3-one
PubChem CID168663549
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-dihydroindazol-3-one
SMILESO=C1CC(CO)CN1c1ccc2[nH][nH]c(=O)c2c1
InChIInChI=1S/C12H13N3O3/c16-6-7-3-11(17)15(5-7)8-1-2-10-9(4-8)12(18)14-13-10/h1-2,4,7,16H,3,5-6H2,(H2,13,14,18)
InChIKeyRALYZUREVQJULR-UHFFFAOYSA-N
XLogP0.20
TPSA89.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259681
4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one
CID 168663581
4-(hydroxymethyl)-1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168664094
1-(3-amino-4-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662678
1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664025
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566
1-(2-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663955
4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one
CID 168664190
1-(6-bromo-3-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663597
2-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetic acid
CID 168664089
methyl 2-chloro-5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168662286
4-(hydroxymethyl)-1-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168662402

Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-dihydroindazol-3-one?
The IUPAC name of 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-dihydroindazol-3-one (CID 168663549) is 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-dihydroindazol-3-one?
The canonical SMILES for 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-dihydroindazol-3-one is O=C1CC(CO)CN1c1ccc2[nH][nH]c(=O)c2c1.
What is the InChIKey of 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-dihydroindazol-3-one?
The InChIKey is RALYZUREVQJULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c16-6-7-3-11(17)15(5-7)8-1-2-10-9(4-8)12(18)14-13-10/h1-2,4,7,16H,3,5-6H2,(H2,13,14,18).
What are the key properties of 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-dihydroindazol-3-one?
5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-dihydroindazol-3-one has a molecular weight of 247.25 g/mol, XLogP of 0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 168663549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).