N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide

C21H23N3OS — CID 24515240

IUPACN-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCSc1ccc(CN(C)C(=O)CCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C21H23N3OS/c1-23(15-17-8-11-20(26-2)12-9-17)21(25)13-10-18-14-22-24(16-18)19-6-4-3-5-7-19/h3-9,11-12,14,16H,10,13,15H2,1-2H3
InChIKeyGBDBVSGTVTYDCR-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.19
Rot. Bonds7

About N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide

N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 24515240) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID24515240
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCSc1ccc(CN(C)C(=O)CCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C21H23N3OS/c1-23(15-17-8-11-20(26-2)12-9-17)21(25)13-10-18-14-22-24(16-18)19-6-4-3-5-7-19/h3-9,11-12,14,16H,10,13,15H2,1-2H3
InChIKeyGBDBVSGTVTYDCR-UHFFFAOYSA-N
XLogP4.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide 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-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(4-sulfamoylphenyl)propanamide
CID 25487197
3-(3,4-dimethoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8950697
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide
CID 111542921
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166240
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 31544557
N-(3-amino-4-methylpentyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119657817
N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8962000
N-methyl-4-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzamide
CID 38744068
3-(2-chlorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 47026270
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide
CID 18103199

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide (CID 24515240) is N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide is CSc1ccc(CN(C)C(=O)CCc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is GBDBVSGTVTYDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-23(15-17-8-11-20(26-2)12-9-17)21(25)13-10-18-14-22-24(16-18)19-6-4-3-5-7-19/h3-9,11-12,14,16H,10,13,15H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide?
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 365.50 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 24515240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).