N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-methylsulfanylacetamide

C16H21N3OS — CID 26332266

IUPACN-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)N[C@@H](C)c1cnn(-c2ccccc2C)c1C
InChIInChI=1S/C16H21N3OS/c1-11-7-5-6-8-15(11)19-13(3)14(9-17-19)12(2)18-16(20)10-21-4/h5-9,12H,10H2,1-4H3,(H,18,20)/t12-/m0/s1
InChIKeyRBDUUZCZLYUDCF-LBPRGKRZSA-N
MW303.43 g/mol
LogP3.03
Rot. Bonds5

About N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-methylsulfanylacetamide

N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-methylsulfanylacetamide (PubChem CID 26332266) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-methylsulfanylacetamide
PubChem CID26332266
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)N[C@@H](C)c1cnn(-c2ccccc2C)c1C
InChIInChI=1S/C16H21N3OS/c1-11-7-5-6-8-15(11)19-13(3)14(9-17-19)12(2)18-16(20)10-21-4/h5-9,12H,10H2,1-4H3,(H,18,20)/t12-/m0/s1
InChIKeyRBDUUZCZLYUDCF-LBPRGKRZSA-N
XLogP3.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-pyridin-3-ylacetamide
CID 25280345
2-(2-ethylimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide
CID 97149895
2-(benzimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide
CID 97140542
1-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-(4-methylsulfanylphenyl)urea
CID 45197403
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide
CID 97128887
N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 45176025
1-ethyl-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 42591847
1-ethyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 45191349
2-(2-chloro-4-fluorophenyl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide
CID 42525671
1,3-dimethyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2,6-dioxopyrimidine-4-carboxamide
CID 45223694
2-hydroxy-N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]acetamide
CID 72852508
ethyl 2-[[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]carbamoylamino]acetate
CID 42194625

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-methylsulfanylacetamide (CID 26332266) is N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-methylsulfanylacetamide is CSCC(=O)N[C@@H](C)c1cnn(-c2ccccc2C)c1C.
What is the InChIKey of N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-methylsulfanylacetamide?
The InChIKey is RBDUUZCZLYUDCF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11-7-5-6-8-15(11)19-13(3)14(9-17-19)12(2)18-16(20)10-21-4/h5-9,12H,10H2,1-4H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-methylsulfanylacetamide?
N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-methylsulfanylacetamide has a molecular weight of 303.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 26332266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).