2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide

C15H19N3OS — CID 20950864

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
SMILESCSc1ccc(CNC(=O)Cc2c(C)n[nH]c2C)cc1
InChIInChI=1S/C15H19N3OS/c1-10-14(11(2)18-17-10)8-15(19)16-9-12-4-6-13(20-3)7-5-12/h4-7H,8-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyQLGLEYQQZXVWJZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.61
Rot. Bonds5

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide (PubChem CID 20950864) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
PubChem CID20950864
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
SMILESCSc1ccc(CNC(=O)Cc2c(C)n[nH]c2C)cc1
InChIInChI=1S/C15H19N3OS/c1-10-14(11(2)18-17-10)8-15(19)16-9-12-4-6-13(20-3)7-5-12/h4-7H,8-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyQLGLEYQQZXVWJZ-UHFFFAOYSA-N
XLogP2.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654751
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 20950858
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide
CID 23654664
2-(3,5-Diethyl-1H-pyrazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide
CID 57737871
2-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-N-[(2,3,4-trifluorophenyl)methyl]acetamide
CID 57737876
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 57737878
2-(3,5-Dimethyl-1H-pyrazol-4-YL)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide
CID 20950857
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acetamide
CID 45106953
N-[(4-methylsulfonylphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 45819974
5-(2-methylpropyl)-N-[2-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 71998560
3-(4-methylsulfanylphenyl)-N-[(E)-3-methylsulfonylprop-2-enyl]-1H-pyrazole-5-carboxamide
CID 177641502
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 20950804

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide (CID 20950864) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide is CSc1ccc(CNC(=O)Cc2c(C)n[nH]c2C)cc1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The InChIKey is QLGLEYQQZXVWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10-14(11(2)18-17-10)8-15(19)16-9-12-4-6-13(20-3)7-5-12/h4-7H,8-9H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide has a molecular weight of 289.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide is sourced from PubChem (CID 20950864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).