2-(2-chlorophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine

C13H16ClN3S — CID 66142205

IUPAC2-(2-chlorophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine
SMILESCCn1nccc1C(N)CSc1ccccc1Cl
InChIInChI=1S/C13H16ClN3S/c1-2-17-12(7-8-16-17)11(15)9-18-13-6-4-3-5-10(13)14/h3-8,11H,2,9,15H2,1H3
InChIKeySLRLFWDOIAKSQK-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.35
Rot. Bonds5

About 2-(2-chlorophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine

2-(2-chlorophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine (PubChem CID 66142205) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine
PubChem CID66142205
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine
SMILESCCn1nccc1C(N)CSc1ccccc1Cl
InChIInChI=1S/C13H16ClN3S/c1-2-17-12(7-8-16-17)11(15)9-18-13-6-4-3-5-10(13)14/h3-8,11H,2,9,15H2,1H3
InChIKeySLRLFWDOIAKSQK-UHFFFAOYSA-N
XLogP3.35
TPSA43.84 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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 66159604
2-(2-chlorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114688224
2-(2-chlorophenyl)sulfanyl-1-(4-chloro-1-propylpyrazol-5-yl)ethanamine
CID 114656223
2-(3-chloro-2-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine
CID 82806876
(2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine
CID 104932240
2-(3-chlorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine
CID 63976359
2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 66141148
1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine
CID 63975113
1-(2-ethylpyrazol-3-yl)but-3-en-1-amine
CID 116660396
(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 107993240
(3-chloro-2-pyridinyl)-(2-ethylpyrazol-3-yl)methanol
CID 103443527
1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine
CID 105148342

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine (CID 66142205) is 2-(2-chlorophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine is CCn1nccc1C(N)CSc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine?
The InChIKey is SLRLFWDOIAKSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-2-17-12(7-8-16-17)11(15)9-18-13-6-4-3-5-10(13)14/h3-8,11H,2,9,15H2,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine?
2-(2-chlorophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine has a molecular weight of 281.81 g/mol, XLogP of 3.35, 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-1-(2-ethylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 66142205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).