N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(4-methylsulfanylphenyl)acetamide

C20H22N4OS — CID 45228613

IUPACN-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(CC(=O)NC(C)c2cnn(-c3ccccn3)c2C)cc1
InChIInChI=1S/C20H22N4OS/c1-14(23-20(25)12-16-7-9-17(26-3)10-8-16)18-13-22-24(15(18)2)19-6-4-5-11-21-19/h4-11,13-14H,12H2,1-3H3,(H,23,25)
InChIKeyADZFDHZOSBAVRF-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.72
Rot. Bonds6

About N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(4-methylsulfanylphenyl)acetamide

N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(4-methylsulfanylphenyl)acetamide (PubChem CID 45228613) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(4-methylsulfanylphenyl)acetamide
PubChem CID45228613
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(CC(=O)NC(C)c2cnn(-c3ccccn3)c2C)cc1
InChIInChI=1S/C20H22N4OS/c1-14(23-20(25)12-16-7-9-17(26-3)10-8-16)18-13-22-24(15(18)2)19-6-4-5-11-21-19/h4-11,13-14H,12H2,1-3H3,(H,23,25)
InChIKeyADZFDHZOSBAVRF-UHFFFAOYSA-N
XLogP3.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(4-methylsulfanylphenyl)acetamide 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

N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(1-methylpyrrol-3-yl)acetamide
CID 45169167
N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 45182393
N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-morpholin-4-ylpropanamide
CID 45235386
N-ethyl-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine
CID 61271924
6-methyl-N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 42533149
5-acetyl-N-[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 42521314
2-methyl-N-[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 97148874
N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]propan-1-amine
CID 61272120
N-butan-2-yl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793345
N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-pyridin-3-ylacetamide
CID 25280345
N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-methylsulfanylacetamide
CID 26332266
(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 25384796

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(4-methylsulfanylphenyl)acetamide (CID 45228613) is N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(4-methylsulfanylphenyl)acetamide is CSc1ccc(CC(=O)NC(C)c2cnn(-c3ccccn3)c2C)cc1.
What is the InChIKey of N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(4-methylsulfanylphenyl)acetamide?
The InChIKey is ADZFDHZOSBAVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-14(23-20(25)12-16-7-9-17(26-3)10-8-16)18-13-22-24(15(18)2)19-6-4-5-11-21-19/h4-11,13-14H,12H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(4-methylsulfanylphenyl)acetamide?
N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(4-methylsulfanylphenyl)acetamide has a molecular weight of 366.49 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 45228613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).