N-[3-(4-methylsulfanylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide

C19H15N3O2S — CID 5329616

IUPACN-[3-(4-methylsulfanylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
SMILESCSc1ccc(-c2n[nH]c3c2C(=O)c2c(NC(C)=O)cccc2-3)cc1
InChIInChI=1S/C19H15N3O2S/c1-10(23)20-14-5-3-4-13-15(14)19(24)16-17(21-22-18(13)16)11-6-8-12(25-2)9-7-11/h3-9H,1-2H3,(H,20,23)(H,21,22)
InChIKeyOEPQRCGRENMLBF-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.97
Rot. Bonds3

About N-[3-(4-methylsulfanylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide

N-[3-(4-methylsulfanylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide (PubChem CID 5329616) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[3-(4-methylsulfanylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-methylsulfanylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
PubChem CID5329616
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC NameN-[3-(4-methylsulfanylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
SMILESCSc1ccc(-c2n[nH]c3c2C(=O)c2c(NC(C)=O)cccc2-3)cc1
InChIInChI=1S/C19H15N3O2S/c1-10(23)20-14-5-3-4-13-15(14)19(24)16-17(21-22-18(13)16)11-6-8-12(25-2)9-7-11/h3-9H,1-2H3,(H,20,23)(H,21,22)
InChIKeyOEPQRCGRENMLBF-UHFFFAOYSA-N
XLogP3.97
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(4-methylsulfanylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylsulfanylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The IUPAC name of N-[3-(4-methylsulfanylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide (CID 5329616) is N-[3-(4-methylsulfanylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(4-methylsulfanylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The canonical SMILES for N-[3-(4-methylsulfanylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide is CSc1ccc(-c2n[nH]c3c2C(=O)c2c(NC(C)=O)cccc2-3)cc1.
What is the InChIKey of N-[3-(4-methylsulfanylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The InChIKey is OEPQRCGRENMLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-10(23)20-14-5-3-4-13-15(14)19(24)16-17(21-22-18(13)16)11-6-8-12(25-2)9-7-11/h3-9H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(4-methylsulfanylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
N-[3-(4-methylsulfanylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide has a molecular weight of 349.42 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylsulfanylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide is sourced from PubChem (CID 5329616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).