1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine

C15H19ClFN3 — CID 64714718

IUPAC1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1cnn(CC)c1)c1cccc(Cl)c1F
InChIInChI=1S/C15H19ClFN3/c1-3-18-14(8-11-9-19-20(4-2)10-11)12-6-5-7-13(16)15(12)17/h5-7,9-10,14,18H,3-4,8H2,1-2H3
InChIKeyBMHLOWSAWRHKCT-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.59
Rot. Bonds6

About 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine

1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine (PubChem CID 64714718) has the molecular formula C15H19ClFN3 and a molecular weight of 295.79 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
PubChem CID64714718
Molecular FormulaC15H19ClFN3
Molecular Weight295.79 g/mol
Exact Mass295.13
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1cnn(CC)c1)c1cccc(Cl)c1F
InChIInChI=1S/C15H19ClFN3/c1-3-18-14(8-11-9-19-20(4-2)10-11)12-6-5-7-13(16)15(12)17/h5-7,9-10,14,18H,3-4,8H2,1-2H3
InChIKeyBMHLOWSAWRHKCT-UHFFFAOYSA-N
XLogP3.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 82789190
N-[1-(3-chloro-2-methylphenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 107102137
N-[1-(2-chloro-3-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115822317
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105114831
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 63024204
1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107884748
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822839
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62125739
1-(4-chloro-2-methoxyphenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822270
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82878097
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 64714865
1-(2,4-dibromophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107945297

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine (CID 64714718) is 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine is CCNC(Cc1cnn(CC)c1)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine?
The InChIKey is BMHLOWSAWRHKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3/c1-3-18-14(8-11-9-19-20(4-2)10-11)12-6-5-7-13(16)15(12)17/h5-7,9-10,14,18H,3-4,8H2,1-2H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine?
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine has a molecular weight of 295.79 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 64714718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).