N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2-methylpropylsulfanyl)acetamide

C17H23N3OS — CID 55687689

IUPACN-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2-methylpropylsulfanyl)acetamide
SMILESCc1cccc(Cn2nccc2NC(=O)CSCC(C)C)c1
InChIInChI=1S/C17H23N3OS/c1-13(2)11-22-12-17(21)19-16-7-8-18-20(16)10-15-6-4-5-14(3)9-15/h4-9,13H,10-12H2,1-3H3,(H,19,21)
InChIKeyUTMHCHDLUMEGPD-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.57
Rot. Bonds7

About N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2-methylpropylsulfanyl)acetamide

N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2-methylpropylsulfanyl)acetamide (PubChem CID 55687689) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2-methylpropylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2-methylpropylsulfanyl)acetamide
PubChem CID55687689
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2-methylpropylsulfanyl)acetamide
SMILESCc1cccc(Cn2nccc2NC(=O)CSCC(C)C)c1
InChIInChI=1S/C17H23N3OS/c1-13(2)11-22-12-17(21)19-16-7-8-18-20(16)10-15-6-4-5-14(3)9-15/h4-9,13H,10-12H2,1-3H3,(H,19,21)
InChIKeyUTMHCHDLUMEGPD-UHFFFAOYSA-N
XLogP3.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2-methylpropylsulfanyl)acetamide 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

2-(1-ethylimidazol-2-yl)sulfanyl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 55868588
2-diethoxyphosphoryl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 139016394
2-[cyclopropyl-[2-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]amino]propanoic acid
CID 122100452
N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78862542
2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 55609627
1-[2-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119906680
2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 60507720
2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 60514034
2-(2-methylmorpholin-4-yl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 60507844
2-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 55869897
N'-[1-(furan-2-yl)-3-methoxypropyl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]oxamide
CID 166205830
N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 55843500

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2-methylpropylsulfanyl)acetamide?
The IUPAC name of N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2-methylpropylsulfanyl)acetamide (CID 55687689) is N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2-methylpropylsulfanyl)acetamide.
What is the SMILES notation for N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2-methylpropylsulfanyl)acetamide?
The canonical SMILES for N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2-methylpropylsulfanyl)acetamide is Cc1cccc(Cn2nccc2NC(=O)CSCC(C)C)c1.
What is the InChIKey of N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2-methylpropylsulfanyl)acetamide?
The InChIKey is UTMHCHDLUMEGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-13(2)11-22-12-17(21)19-16-7-8-18-20(16)10-15-6-4-5-14(3)9-15/h4-9,13H,10-12H2,1-3H3,(H,19,21).
What are the key properties of N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2-methylpropylsulfanyl)acetamide?
N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2-methylpropylsulfanyl)acetamide has a molecular weight of 317.46 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2-methylpropylsulfanyl)acetamide is sourced from PubChem (CID 55687689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).