2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine

C13H16ClN3S — CID 66141148

IUPAC2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCNC(CSc1ccccc1Cl)c1ccnn1C
InChIInChI=1S/C13H16ClN3S/c1-15-11(12-7-8-16-17(12)2)9-18-13-6-4-3-5-10(13)14/h3-8,11,15H,9H2,1-2H3
InChIKeyWHFMPZRVHTUDHU-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.13
Rot. Bonds5

About 2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine

2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 66141148) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID66141148
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCNC(CSc1ccccc1Cl)c1ccnn1C
InChIInChI=1S/C13H16ClN3S/c1-15-11(12-7-8-16-17(12)2)9-18-13-6-4-3-5-10(13)14/h3-8,11,15H,9H2,1-2H3
InChIKeyWHFMPZRVHTUDHU-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine 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-(2-methylphenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105237318
N-methyl-1-(2-methylpyrazol-3-yl)-2-propylsulfanylethanamine
CID 65128677
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 82806793
2-(2-chlorophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 66142205
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine
CID 64620494
2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66140551
2-(3-chlorophenyl)sulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 66146843
N-methyl-1-(2-methylpyrazol-3-yl)-2-phenylpropan-1-amine
CID 114029100
3,3,3-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)propan-1-amine
CID 63963299
2-(2-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine
CID 102647655
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 105180440
2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 66140362

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine (CID 66141148) is 2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine is CNC(CSc1ccccc1Cl)c1ccnn1C.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is WHFMPZRVHTUDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-15-11(12-7-8-16-17(12)2)9-18-13-6-4-3-5-10(13)14/h3-8,11,15H,9H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine?
2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 281.81 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 66141148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).