1-(4-chloro-2-methoxyphenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine

C16H22ClN3O — CID 115822270

IUPAC1-(4-chloro-2-methoxyphenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1cnn(CC)c1)c1ccc(Cl)cc1OC
InChIInChI=1S/C16H22ClN3O/c1-4-18-15(8-12-10-19-20(5-2)11-12)14-7-6-13(17)9-16(14)21-3/h6-7,9-11,15,18H,4-5,8H2,1-3H3
InChIKeyFVRPPYYIZDDMCY-UHFFFAOYSA-N
MW307.83 g/mol
LogP3.46
Rot. Bonds7

About 1-(4-chloro-2-methoxyphenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine

1-(4-chloro-2-methoxyphenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine (PubChem CID 115822270) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
PubChem CID115822270
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC Name1-(4-chloro-2-methoxyphenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1cnn(CC)c1)c1ccc(Cl)cc1OC
InChIInChI=1S/C16H22ClN3O/c1-4-18-15(8-12-10-19-20(5-2)11-12)14-7-6-13(17)9-16(14)21-3/h6-7,9-11,15,18H,4-5,8H2,1-3H3
InChIKeyFVRPPYYIZDDMCY-UHFFFAOYSA-N
XLogP3.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,4-dichlorophenyl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105291296
1-(2,4-dibromophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107945297
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 64714718
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62125739
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 62126626
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105114831
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822839
N-[1-(4-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115822076
1-(4-chloro-2-methoxyphenyl)-N-ethylpent-4-yn-1-amine
CID 115859214
5-chloro-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methoxybenzenesulfonamide
CID 131934877
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)ethanamine
CID 63840835
1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105029989

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine (CID 115822270) is 1-(4-chloro-2-methoxyphenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine is CCNC(Cc1cnn(CC)c1)c1ccc(Cl)cc1OC.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine?
The InChIKey is FVRPPYYIZDDMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-4-18-15(8-12-10-19-20(5-2)11-12)14-7-6-13(17)9-16(14)21-3/h6-7,9-11,15,18H,4-5,8H2,1-3H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine?
1-(4-chloro-2-methoxyphenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine has a molecular weight of 307.83 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 115822270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).