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

C19H28FN5 — CID 96563094

IUPAC(1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCN1CCN(c2ccc(F)cc2[C@H](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/t15-/m0/s1
InChIKeyPJXFMGVUASQDAC-HNNXBMFYSA-N
MW345.47 g/mol
LogP2.55
Rot. Bonds6

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

(1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 96563094) has the molecular formula C19H28FN5 and a molecular weight of 345.47 g/mol. Its IUPAC name is (1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID96563094
Molecular FormulaC19H28FN5
Molecular Weight345.47 g/mol
Exact Mass345.23
IUPAC Name(1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCN1CCN(c2ccc(F)cc2[C@H](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/t15-/m0/s1
InChIKeyPJXFMGVUASQDAC-HNNXBMFYSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-fluorophenyl)methyl]ethanamine
CID 119122933
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-[(4-methyl-1H-pyrazol-5-yl)methyl]ethanamine
CID 126818032
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)ethanamine
CID 126813623
1-(2-chloro-4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63301995
(1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[[(2S,5R)-5-methyloxolan-2-yl]methyl]ethanamine
CID 100909588
N-[[1-(3-bromophenyl)-3-methylpyrazol-4-yl]methyl]-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethanamine
CID 167916445
N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]oxolan-3-amine
CID 75427924
(1S)-1-[2-(difluoromethoxy)-4-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 97229990
(1R)-1-[2-(difluoromethoxy)-4-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 97229991
(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

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (CID 96563094) is (1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2ccnn2C)CC1.
What is the InChIKey of (1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is PJXFMGVUASQDAC-HNNXBMFYSA-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/t15-/m0/s1.
What are the key properties of (1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
(1S)-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 (1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 96563094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).