1-(2-methylindazol-5-yl)-4-(sulfanylmethyl)pyrrolidin-2-one

C13H15N3OS — CID 168670795

IUPAC1-(2-methylindazol-5-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESCn1cc2cc(N3CC(CS)CC3=O)ccc2n1
InChIInChI=1S/C13H15N3OS/c1-15-7-10-5-11(2-3-12(10)14-15)16-6-9(8-18)4-13(16)17/h2-3,5,7,9,18H,4,6,8H2,1H3
InChIKeyZMZQFOLSWVHZJW-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.86
Rot. Bonds2

About 1-(2-methylindazol-5-yl)-4-(sulfanylmethyl)pyrrolidin-2-one

1-(2-methylindazol-5-yl)-4-(sulfanylmethyl)pyrrolidin-2-one (PubChem CID 168670795) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-(2-methylindazol-5-yl)-4-(sulfanylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methylindazol-5-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
PubChem CID168670795
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name1-(2-methylindazol-5-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESCn1cc2cc(N3CC(CS)CC3=O)ccc2n1
InChIInChI=1S/C13H15N3OS/c1-15-7-10-5-11(2-3-12(10)14-15)16-6-9(8-18)4-13(16)17/h2-3,5,7,9,18H,4,6,8H2,1H3
InChIKeyZMZQFOLSWVHZJW-UHFFFAOYSA-N
XLogP1.86
TPSA38.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-(2-methylindazol-5-yl)-4-(sulfanylmethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-1-(2-methylindazol-5-yl)pyrrolidin-2-one
CID 168660099
S-[[1-(2-methylindazol-5-yl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667466
1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711992
1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697119
S-[1-(2-methylindazol-5-yl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705873
1-(2-methyl-1,3-benzothiazol-5-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670752
1-(6-bromonaphthalen-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672101
1-(4-methoxyphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670171
1-(1-propylpyrazol-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669791
1-phenyl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672207
1-(4-chloro-3-fluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671508
1-[4-(dimethylamino)-3-fluorophenyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669946

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylindazol-5-yl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-methylindazol-5-yl)-4-(sulfanylmethyl)pyrrolidin-2-one (CID 168670795) is 1-(2-methylindazol-5-yl)-4-(sulfanylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methylindazol-5-yl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-methylindazol-5-yl)-4-(sulfanylmethyl)pyrrolidin-2-one is Cn1cc2cc(N3CC(CS)CC3=O)ccc2n1.
What is the InChIKey of 1-(2-methylindazol-5-yl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The InChIKey is ZMZQFOLSWVHZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-15-7-10-5-11(2-3-12(10)14-15)16-6-9(8-18)4-13(16)17/h2-3,5,7,9,18H,4,6,8H2,1H3.
What are the key properties of 1-(2-methylindazol-5-yl)-4-(sulfanylmethyl)pyrrolidin-2-one?
1-(2-methylindazol-5-yl)-4-(sulfanylmethyl)pyrrolidin-2-one has a molecular weight of 261.35 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylindazol-5-yl)-4-(sulfanylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168670795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).