2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide

C19H19N3OS — CID 19534326

IUPAC2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide
SMILESCc1cnn(C(C)C(=O)Nc2ccccc2Sc2ccccc2)c1
InChIInChI=1S/C19H19N3OS/c1-14-12-20-22(13-14)15(2)19(23)21-17-10-6-7-11-18(17)24-16-8-4-3-5-9-16/h3-13,15H,1-2H3,(H,21,23)
InChIKeyAYFPAJVZYCBSMR-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.54
Rot. Bonds5

About 2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide

2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide (PubChem CID 19534326) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide
PubChem CID19534326
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide
SMILESCc1cnn(C(C)C(=O)Nc2ccccc2Sc2ccccc2)c1
InChIInChI=1S/C19H19N3OS/c1-14-12-20-22(13-14)15(2)19(23)21-17-10-6-7-11-18(17)24-16-8-4-3-5-9-16/h3-13,15H,1-2H3,(H,21,23)
InChIKeyAYFPAJVZYCBSMR-UHFFFAOYSA-N
XLogP4.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19584490
2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 19526400
N-(2-cyanophenyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534474
N-(2,6-dimethylphenyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534343
N-(5-methyl-2-pyridinyl)-1-[1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl]piperidine-4-carboxamide
CID 55921400
N-(2-benzylphenyl)-2-(4-bromopyrazol-1-yl)propanamide
CID 45153767
(2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide
CID 61254196
2-(4-bromo-5-methylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]propanamide
CID 19535361
2-(5-methyl-3-nitropyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 19538711
2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide
CID 4053686
2-(4-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 19534387
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 55432351

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide (CID 19534326) is 2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide is Cc1cnn(C(C)C(=O)Nc2ccccc2Sc2ccccc2)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide?
The InChIKey is AYFPAJVZYCBSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-14-12-20-22(13-14)15(2)19(23)21-17-10-6-7-11-18(17)24-16-8-4-3-5-9-16/h3-13,15H,1-2H3,(H,21,23).
What are the key properties of 2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide?
2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide has a molecular weight of 337.45 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide is sourced from PubChem (CID 19534326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).