2-(2-chlorophenyl)sulfanyl-1-(4-chloro-1-propylpyrazol-5-yl)ethanamine

C14H17Cl2N3S — CID 114656223

IUPAC2-(2-chlorophenyl)sulfanyl-1-(4-chloro-1-propylpyrazol-5-yl)ethanamine
SMILESCCCn1ncc(Cl)c1C(N)CSc1ccccc1Cl
InChIInChI=1S/C14H17Cl2N3S/c1-2-7-19-14(11(16)8-18-19)12(17)9-20-13-6-4-3-5-10(13)15/h3-6,8,12H,2,7,9,17H2,1H3
InChIKeyWSRRHWVBJKQIKN-UHFFFAOYSA-N
MW330.28 g/mol
LogP4.39
Rot. Bonds6

About 2-(2-chlorophenyl)sulfanyl-1-(4-chloro-1-propylpyrazol-5-yl)ethanamine

2-(2-chlorophenyl)sulfanyl-1-(4-chloro-1-propylpyrazol-5-yl)ethanamine (PubChem CID 114656223) has the molecular formula C14H17Cl2N3S and a molecular weight of 330.28 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-(4-chloro-1-propylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-(4-chloro-1-propylpyrazol-5-yl)ethanamine
PubChem CID114656223
Molecular FormulaC14H17Cl2N3S
Molecular Weight330.28 g/mol
Exact Mass329.05
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-(4-chloro-1-propylpyrazol-5-yl)ethanamine
SMILESCCCn1ncc(Cl)c1C(N)CSc1ccccc1Cl
InChIInChI=1S/C14H17Cl2N3S/c1-2-7-19-14(11(16)8-18-19)12(17)9-20-13-6-4-3-5-10(13)15/h3-6,8,12H,2,7,9,17H2,1H3
InChIKeyWSRRHWVBJKQIKN-UHFFFAOYSA-N
XLogP4.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114688224
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-fluorophenyl)sulfanylethanamine
CID 114656047
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-phenylsulfanylethanamine
CID 114654273
1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine
CID 114649334
1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine
CID 114648638
2-(2-chlorophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 66142205
1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine
CID 105042639
(4-chloro-1-propylpyrazol-5-yl)-(4-ethylsulfanylphenyl)methanamine
CID 106848481
2-(2-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114643271
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-chlorophenyl)sulfanylethanamine
CID 114656257
[(3-chloro-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 107103824
[2-(2-chlorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethyl]hydrazine
CID 105237633

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(4-chloro-1-propylpyrazol-5-yl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(4-chloro-1-propylpyrazol-5-yl)ethanamine (CID 114656223) is 2-(2-chlorophenyl)sulfanyl-1-(4-chloro-1-propylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-(4-chloro-1-propylpyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-(4-chloro-1-propylpyrazol-5-yl)ethanamine is CCCn1ncc(Cl)c1C(N)CSc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-(4-chloro-1-propylpyrazol-5-yl)ethanamine?
The InChIKey is WSRRHWVBJKQIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3S/c1-2-7-19-14(11(16)8-18-19)12(17)9-20-13-6-4-3-5-10(13)15/h3-6,8,12H,2,7,9,17H2,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-(4-chloro-1-propylpyrazol-5-yl)ethanamine?
2-(2-chlorophenyl)sulfanyl-1-(4-chloro-1-propylpyrazol-5-yl)ethanamine has a molecular weight of 330.28 g/mol, XLogP of 4.39, 6 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-(4-chloro-1-propylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 114656223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).