1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine

C19H28FN5 — CID 75375985

IUPAC1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCN1CCN(c2ccc(F)cc2C(C)NCc2ccnn2C)CC1
InChIInChI=1S/C19H28FN5/c1-4-24-9-11-25(12-10-24)19-6-5-16(20)13-18(19)15(2)21-14-17-7-8-22-23(17)3/h5-8,13,15,21H,4,9-12,14H2,1-3H3
InChIKeyPJXFMGVUASQDAC-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.55
Rot. Bonds6

About 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine

1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 75375985) 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-[(2-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID75375985
Molecular FormulaC19H28FN5
Molecular Weight345.47 g/mol
Exact Mass345.23
IUPAC Name1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCN1CCN(c2ccc(F)cc2C(C)NCc2ccnn2C)CC1
InChIInChI=1S/C19H28FN5/c1-4-24-9-11-25(12-10-24)19-6-5-16(20)13-18(19)15(2)21-14-17-7-8-22-23(17)3/h5-8,13,15,21H,4,9-12,14H2,1-3H3
InChIKeyPJXFMGVUASQDAC-UHFFFAOYSA-N
XLogP2.55
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (CID 75375985) is 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is CCN1CCN(c2ccc(F)cc2C(C)NCc2ccnn2C)CC1.
What is the InChIKey of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is PJXFMGVUASQDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN5/c1-4-24-9-11-25(12-10-24)19-6-5-16(20)13-18(19)15(2)21-14-17-7-8-22-23(17)3/h5-8,13,15,21H,4,9-12,14H2,1-3H3.
What are the key properties of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 345.47 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 75375985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).