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

C16H21N3OS — CID 20950857

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc(CCNC(=O)Cc2c(C)n[nH]c2C)cc1
InChIInChI=1S/C16H21N3OS/c1-11-15(12(2)19-18-11)10-16(20)17-9-8-13-4-6-14(21-3)7-5-13/h4-7H,8-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyDONJJMFIFORQEG-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.65
Rot. Bonds6

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

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide (PubChem CID 20950857) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
PubChem CID20950857
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc(CCNC(=O)Cc2c(C)n[nH]c2C)cc1
InChIInChI=1S/C16H21N3OS/c1-11-15(12(2)19-18-11)10-16(20)17-9-8-13-4-6-14(21-3)7-5-13/h4-7H,8-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyDONJJMFIFORQEG-UHFFFAOYSA-N
XLogP2.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.65
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
N-[(2,4-dimethylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654833
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-[(4-methylsulfanylphenyl)methyl]acetamide
CID 20950864
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
N-benzyl-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 168287616

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide (CID 20950857) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide is CSc1ccc(CCNC(=O)Cc2c(C)n[nH]c2C)cc1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide?
The InChIKey is DONJJMFIFORQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11-15(12(2)19-18-11)10-16(20)17-9-8-13-4-6-14(21-3)7-5-13/h4-7H,8-10H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide has a molecular weight of 303.43 g/mol, XLogP of 2.65, 6 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-[2-(4-methylsulfanylphenyl)ethyl]acetamide is sourced from PubChem (CID 20950857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).