1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,6-dichlorophenyl)ethanamine

C14H16Cl3N3O — CID 114649068

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,6-dichlorophenyl)ethanamine
SMILESCOCCn1ncc(Cl)c1C(N)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H16Cl3N3O/c1-21-6-5-20-14(12(17)8-19-20)13(18)7-9-10(15)3-2-4-11(9)16/h2-4,8,13H,5-7,18H2,1H3
InChIKeyYMYFHVWQYDECPO-UHFFFAOYSA-N
MW348.66 g/mol
LogP3.73
Rot. Bonds6

About 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,6-dichlorophenyl)ethanamine

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,6-dichlorophenyl)ethanamine (PubChem CID 114649068) has the molecular formula C14H16Cl3N3O and a molecular weight of 348.66 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,6-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,6-dichlorophenyl)ethanamine
PubChem CID114649068
Molecular FormulaC14H16Cl3N3O
Molecular Weight348.66 g/mol
Exact Mass347.04
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,6-dichlorophenyl)ethanamine
SMILESCOCCn1ncc(Cl)c1C(N)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H16Cl3N3O/c1-21-6-5-20-14(12(17)8-19-20)13(18)7-9-10(15)3-2-4-11(9)16/h2-4,8,13H,5-7,18H2,1H3
InChIKeyYMYFHVWQYDECPO-UHFFFAOYSA-N
XLogP3.73
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.66
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methanamine
CID 105054471
2-(2-bromophenyl)-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanamine
CID 114650067
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(4-fluorophenyl)ethanamine
CID 114646675
(2-chloro-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanamine
CID 105054549
2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 114649071
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-chlorophenyl)sulfanylethanamine
CID 114656257
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(3-methylphenyl)propan-1-amine
CID 105190068
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
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanamine
CID 114657526
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methylphenyl)methanamine
CID 114646785
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-fluorophenyl)sulfanylethanamine
CID 114656047

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,6-dichlorophenyl)ethanamine?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,6-dichlorophenyl)ethanamine (CID 114649068) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,6-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,6-dichlorophenyl)ethanamine?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,6-dichlorophenyl)ethanamine is COCCn1ncc(Cl)c1C(N)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,6-dichlorophenyl)ethanamine?
The InChIKey is YMYFHVWQYDECPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl3N3O/c1-21-6-5-20-14(12(17)8-19-20)13(18)7-9-10(15)3-2-4-11(9)16/h2-4,8,13H,5-7,18H2,1H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,6-dichlorophenyl)ethanamine?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,6-dichlorophenyl)ethanamine has a molecular weight of 348.66 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,6-dichlorophenyl)ethanamine is sourced from PubChem (CID 114649068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).