1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-fluorophenyl)sulfanylethanamine

C14H17ClFN3OS — CID 114656047

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-fluorophenyl)sulfanylethanamine
SMILESCOCCn1ncc(Cl)c1C(N)CSc1ccccc1F
InChIInChI=1S/C14H17ClFN3OS/c1-20-7-6-19-14(10(15)8-18-19)12(17)9-21-13-5-3-2-4-11(13)16/h2-5,8,12H,6-7,9,17H2,1H3
InChIKeyIMWVGRKEDABBPJ-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.11
Rot. Bonds7

About 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-fluorophenyl)sulfanylethanamine

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-fluorophenyl)sulfanylethanamine (PubChem CID 114656047) has the molecular formula C14H17ClFN3OS and a molecular weight of 329.83 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-fluorophenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-fluorophenyl)sulfanylethanamine
PubChem CID114656047
Molecular FormulaC14H17ClFN3OS
Molecular Weight329.83 g/mol
Exact Mass329.08
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-fluorophenyl)sulfanylethanamine
SMILESCOCCn1ncc(Cl)c1C(N)CSc1ccccc1F
InChIInChI=1S/C14H17ClFN3OS/c1-20-7-6-19-14(10(15)8-18-19)12(17)9-21-13-5-3-2-4-11(13)16/h2-5,8,12H,6-7,9,17H2,1H3
InChIKeyIMWVGRKEDABBPJ-UHFFFAOYSA-N
XLogP3.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-chlorophenyl)sulfanylethanamine
CID 114656257
2-(2-chlorophenyl)sulfanyl-1-(4-chloro-1-propylpyrazol-5-yl)ethanamine
CID 114656223
(2-chloro-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanamine
CID 105054549
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,6-dichlorophenyl)ethanamine
CID 114649068
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(4-fluorophenyl)ethanamine
CID 114646675
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-difluorophenyl)methanamine
CID 114646619
2-(2-bromophenyl)-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanamine
CID 114650067
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methanamine
CID 105054471
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-3-fluorophenyl)methanamine
CID 107995349
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine
CID 105236300
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(furan-2-yl)propan-1-amine
CID 105189988
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-amine
CID 105054591

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-fluorophenyl)sulfanylethanamine?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-fluorophenyl)sulfanylethanamine (CID 114656047) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-fluorophenyl)sulfanylethanamine.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-fluorophenyl)sulfanylethanamine?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-fluorophenyl)sulfanylethanamine is COCCn1ncc(Cl)c1C(N)CSc1ccccc1F.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-fluorophenyl)sulfanylethanamine?
The InChIKey is IMWVGRKEDABBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3OS/c1-20-7-6-19-14(10(15)8-18-19)12(17)9-21-13-5-3-2-4-11(13)16/h2-5,8,12H,6-7,9,17H2,1H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-fluorophenyl)sulfanylethanamine?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-fluorophenyl)sulfanylethanamine has a molecular weight of 329.83 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-fluorophenyl)sulfanylethanamine is sourced from PubChem (CID 114656047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).