2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine

C14H18FN3 — CID 55041100

IUPAC2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine
SMILESCCn1cc(CC(NC)c2ccc(F)cc2)cn1
InChIInChI=1S/C14H18FN3/c1-3-18-10-11(9-17-18)8-14(16-2)12-4-6-13(15)7-5-12/h4-7,9-10,14,16H,3,8H2,1-2H3
InChIKeyLPZJFWUYASMVQK-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.55
Rot. Bonds5

About 2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine

2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine (PubChem CID 55041100) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine
PubChem CID55041100
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine
SMILESCCn1cc(CC(NC)c2ccc(F)cc2)cn1
InChIInChI=1S/C14H18FN3/c1-3-18-10-11(9-17-18)8-14(16-2)12-4-6-13(15)7-5-12/h4-7,9-10,14,16H,3,8H2,1-2H3
InChIKeyLPZJFWUYASMVQK-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 115822526
2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine
CID 62126251
4-[3-chloro-2-(4-fluorophenyl)propyl]-1-ethylpyrazole
CID 79437493
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62125739
1-(2-bromo-3,4-difluorophenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 107539079
2-(1-ethylpyrazol-4-yl)-N-methyl-1-thiophen-2-ylethanamine
CID 62127681
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 62126626
1-(3,4-difluorophenyl)-3-(1-ethylpyrazol-4-yl)-N-methylpropan-2-amine
CID 115822649
N-[2-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62126609
1-(4-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 115822078
1-(1-benzofuran-2-yl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 63091310
1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine
CID 83176188

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine (CID 55041100) is 2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine is CCn1cc(CC(NC)c2ccc(F)cc2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine?
The InChIKey is LPZJFWUYASMVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-18-10-11(9-17-18)8-14(16-2)12-4-6-13(15)7-5-12/h4-7,9-10,14,16H,3,8H2,1-2H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine?
2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine has a molecular weight of 247.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 55041100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).