1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-methyl-1H-pyrazol-5-yl)methyl]ethanamine

C19H28FN5 — CID 126818032

IUPAC1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-methyl-1H-pyrazol-5-yl)methyl]ethanamine
SMILESCCN1CCN(c2ccc(F)cc2C(C)NCc2[nH]ncc2C)CC1
InChIInChI=1S/C19H28FN5/c1-4-24-7-9-25(10-8-24)19-6-5-16(20)11-17(19)15(3)21-13-18-14(2)12-22-23-18/h5-6,11-12,15,21H,4,7-10,13H2,1-3H3,(H,22,23)
InChIKeyZLUYBXTYQUGOLR-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.85
Rot. Bonds6

About 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-methyl-1H-pyrazol-5-yl)methyl]ethanamine

1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-methyl-1H-pyrazol-5-yl)methyl]ethanamine (PubChem CID 126818032) has the molecular formula C19H28FN5 and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-methyl-1H-pyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-methyl-1H-pyrazol-5-yl)methyl]ethanamine
PubChem CID126818032
Molecular FormulaC19H28FN5
Molecular Weight345.47 g/mol
Exact Mass345.23
IUPAC Name1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-methyl-1H-pyrazol-5-yl)methyl]ethanamine
SMILESCCN1CCN(c2ccc(F)cc2C(C)NCc2[nH]ncc2C)CC1
InChIInChI=1S/C19H28FN5/c1-4-24-7-9-25(10-8-24)19-6-5-16(20)11-17(19)15(3)21-13-18-14(2)12-22-23-18/h5-6,11-12,15,21H,4,7-10,13H2,1-3H3,(H,22,23)
InChIKeyZLUYBXTYQUGOLR-UHFFFAOYSA-N
XLogP2.85
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-fluorophenyl)methyl]ethanamine
CID 119122933
(1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 96563094
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
CID 75471695
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)ethanamine
CID 126813623
N-[[1-(3-bromophenyl)-3-methylpyrazol-4-yl]methyl]-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethanamine
CID 167916445
(1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[[(2S,5R)-5-methyloxolan-2-yl]methyl]ethanamine
CID 100909588
(2R)-2-amino-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]propanamide
CID 119902822
N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43283921
N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]oxolan-3-amine
CID 75427924
1-[(1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-3-pyridin-2-ylurea
CID 52516092
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]-N-ethylethanamine
CID 43581580
1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-N-(1H-indol-4-ylmethyl)ethanamine
CID 119122892

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-methyl-1H-pyrazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-methyl-1H-pyrazol-5-yl)methyl]ethanamine (CID 126818032) is 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-methyl-1H-pyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-methyl-1H-pyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-methyl-1H-pyrazol-5-yl)methyl]ethanamine is CCN1CCN(c2ccc(F)cc2C(C)NCc2[nH]ncc2C)CC1.
What is the InChIKey of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-methyl-1H-pyrazol-5-yl)methyl]ethanamine?
The InChIKey is ZLUYBXTYQUGOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN5/c1-4-24-7-9-25(10-8-24)19-6-5-16(20)11-17(19)15(3)21-13-18-14(2)12-22-23-18/h5-6,11-12,15,21H,4,7-10,13H2,1-3H3,(H,22,23).
What are the key properties of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-methyl-1H-pyrazol-5-yl)methyl]ethanamine?
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-methyl-1H-pyrazol-5-yl)methyl]ethanamine has a molecular weight of 345.47 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-methyl-1H-pyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 126818032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).